Mrv0541 04191212122D          

 20 20  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  2  14   1  17  -1
M  END
> <DRUGBANK_ID>
DB00446

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Chloramphenicol

> <SYNONYMS>
CAF; CAP; Chloramfenikol; Chloramphenicole; Chloroamphenicol; Cloroamfenicolo; D-Chloramphenicol

> <BRANDS>
Ak-chlor; Ak-Chlor Ophthalmic Ointment; Ak-Chlor Ophthalmic Solution; Alficetyn; Ambofen; Amphenicol; Amphicol; Amseclor; Anacetin; Aquamycetin; Austracil; Austracol; Biocetin; Biophenicol; Catilan; Chemicetin; Chemicetina; Chlomin; Chlomycol; Chlora-Tabs; Chloracol Ophthalmic Solution; Chloramex; Chloramficin; Chloramfilin; Chloramsaar; Chlorasol; Chloricol; Chlornitromycin; Chloro-25 vetag; Chlorocaps; Chlorocid; Chlorocid S; Chlorocide; Chlorocidin C; Chlorocidin C tetran; Chlorocol; Chlorofair; Chlorofair Ophthalmic Ointment; Chlorofair Ophthalmic Solution; Chloroject L; Chloromax; Chloromycetin for Ophthalmic Solution; Chloromycetin Hydrocortisone; Chloromycetin Ophthalmic Ointment; Chloromycetin Palmitate; Chloromycetny; Chloromyxin; Chloronitrin; Chloroptic; Chloroptic Ophthalmic Solution; Chloroptic S.O.P.; Chloroptic-P S.O.P.; Chlorovules; Cidocetine; Ciplamycetin; Cloramfen; Cloramficin; Cloramicol; Cloramidina; Clorocyn; Cloromisan; Clorosintex; Comycetin; Cylphenicol; Desphen; Detreomycin; Detreomycine; Dextromycetin; Doctamicina; Econochlor; Econochlor Ophthalmic Ointment; Econochlor Ophthalmic Solution; Elase-Chloromycetin; Embacetin; Emetren; Enicol; Enteromycetin; Erbaplast; Ertilen; Farmicetina; Farmitcetina; Fenicol; Fenicol Ophthalmic Ointment; Globenicol; Glorous; Halomycetin; Hortfenicol; I-Chlor Ophthalmic Solution; Intramycetin; Isicetin; Ismicetina; Isophenicol; Isopto fenicol; Juvamycetin; Kamaver; Kemicetina; Kemicetine; Klorita; Klorocid S; Leukamycin; Leukomyan; Leukomycin; Levomicetina; Levomitsetin; Levomycetin; Loromisan; Loromisin; Mastiphen; Mediamycetine; Medichol; Micloretin; Micochlorine; Micoclorina; Microcetina; Mychel; Mychel-Vet; Mycinol; Normimycin V; Novochlorocap; Novomycetin; Novophenicol; Ocu-Chlor Ophthalmic Ointment; Ocu-Chlor Ophthalmic Solution; Oftalent; Oleomycetin; Opclor; Opelor; Ophtho-Chloram Ophthalmic Solution; Ophthochlor; Ophthochlor Ophthalmic Solution; Ophthoclor; Ophthocort; Ophtochlor; Optomycin; Otachron; Otophen; Pantovernil; Paraxin; Pentamycetin; Pentamycetin Ophthalmic Ointment; Pentamycetin Ophthalmic Solution; Quemicetina; Rivomycin; Romphenil; Ronphenil; Septicol; Sificetina; Sintomicetina; Sintomicetine R; Sno-Phenicol; Sopamycetin Ophthalmic Ointment; Sopamycetin Ophthalmic Solution; Spectro-Chlor Ophthalmic Ointment; Spectro-Chlor Ophthalmic Solution; Stanomycetin; Synthomycetin; Synthomycetine; Synthomycine; Tega-Cetin; Tevcocin; Tevcosin; Tifomycin; Tifomycine; Tiromycetin; Treomicetina; Tyfomycine; Unimycetin; Veticol; Viceton

> <CHEMICAL_FORMULA>
C11H12Cl2N2O5

> <MOLECULAR_WEIGHT>
323.129

> <EXACT_MASS>
322.012326918

> <IUPAC_NAME>
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

> <INCHI_IDENTIFIER>
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1

> <INCHI_KEY>
InChIKey=WIIZWVCIJKGZOK-RKDXNWHRSA-N

> <SMILES>
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_ACIDIC_PKA>
13.59

> <ALOGPS_LOGP>
1.15

> <JCHEM_LOGP>
0.88

> <ALOGPS_LOGS>
-2.9

> <JCHEM_POLARIZABILITY>
28.08

> <JCHEM_POLAR_SURFACE_AREA>
115.38

> <JCHEM_REFRACTIVITY>
73.2

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <ALOGPS_SOLUBILITY>
4.61e-01 g/l

$$$$