636
  Mrv0541 02231214502D          

 16 16  0  0  0  0            999 V2000
    2.3645   -3.0938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    1.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00636

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Clofibrate

> <SYNONYMS>
Chlorfenisate; Chlorphenisate; Clofibate; Clofibrato; Clofibratum; CPIB; EPIB; Ethyl chlorophenoxyisobutyrate; Ethyl clofibrate; Ethyl p-chlorophenoxyisobutyrate; Ethyl para-chlorophenoxyisobutyrate

> <BRANDS>
Amotril; Amotril S; Angiokapsul; Anparton; Antilipid; Antilipide; Apolan; Arterioflexin; Arterosol; Artevil; Ateculon; Ateriosan; Athebrate; Atheromide; Atheropront; Athranid-Wirkstoff; Atrolen; Atromid; Atromid S; Atromid-S; Atromida; Atromidin; Atrovis; Azionyl; Bioscleran; Bresit; Cartagyl; Citiflus; Claripex; Claripex CPIB; Cloberat; Clobrat; Clobren-5F; Clobren-SF; Clofar; Clofibram; Clofibrat; Clofinit; Clofipront; Delipid; Deliva; Dura clofibrat; ELPI; Fibralem; Gerastop; Hyclorate; Klofibrat; Klofiran; Levatrom; Lipamid; Lipavil; Lipavlon; Lipide 500; Lipidsenker; Lipofacton; Lipomid; Liponorm; Liporeduct; Liporil; Liposid; Liprin; Liprinal; Lobetrin; Miscleron; Negalip; neo-Atomid; Neo-Atromid; Normat; Normolipol; Novofibrate; Oxan 600; Persantinat; Regardin; Regelan; Regelan N; Robigram; Scrobin; Serofinex; Serotinex; Skerolip; Sklerepmexe; Sklero; Sklero-Tablinen; Sklero-tablinene; Sklero-tabuls; Sklerolip; Skleromex; Skleromexe; Tetrasipton; Thillate; Ticlobran; Vincamin compositum; Yoclo

> <CHEMICAL_FORMULA>
C12H15ClO3

> <MOLECULAR_WEIGHT>
242.699

> <EXACT_MASS>
242.070972053

> <IUPAC_NAME>
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

> <INCHI_IDENTIFIER>
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3

> <INCHI_KEY>
InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N

> <SMILES>
CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_DONOR_COUNT>
0

> <ALOGPS_LOGP>
3.99

> <JCHEM_LOGP>
3.4

> <ALOGPS_LOGS>
-3.9

> <JCHEM_POLARIZABILITY>
24.7

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
62.14

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <ALOGPS_SOLUBILITY>
2.90e-02 g/l

$$$$