Mrv1533004261507462D          

 18 19  0  0  0  0            999 V2000
   -0.0000   -1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.6309    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.6309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.6309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  CHG  2   2   1  18  -1
M  END
> <DATABASE_ID>
DB13326

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].C[N+]1=C2C=C(N)C=CC2=CC2=C1C=C(N)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H

> <INCHI_KEY>
KKAJSJJFBSOMGS-UHFFFAOYSA-N

> <FORMULA>
C14H14ClN3

> <MOLECULAR_WEIGHT>
259.74

> <EXACT_MASS>
259.0876252

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
25.445637908566923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,6-diamino-10-methylacridin-10-ium chloride

> <ALOGPS_LOGP>
-1.85

> <JCHEM_LOGP>
-2.8078911181384116

> <ALOGPS_LOGS>
-5.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
2.3522572623485583

> <JCHEM_POLAR_SURFACE_AREA>
55.92

> <JCHEM_REFRACTIVITY>
72.11269999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,6-diamino-10-methylacridine chloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13326

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Euflavine

> <SYNONYMS>
3,6-diamino-10-methylacridinium chloride

$$$$