Mrv1652306031609072D          

 23 25  0  0  0  0            999 V2000
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  2  0  0  0  0
 10  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045340

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=C(N\N=C2/C(=O)C=CC3=CC=CC=C23)C=CC(=C1)N(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,18H/b19-16-

> <INCHI_KEY>
WJJZURXPOSMHKT-MNDPQUGUSA-N

> <FORMULA>
C16H10ClN3O3

> <MOLECULAR_WEIGHT>
327.72

> <EXACT_MASS>
327.0410689

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
31.426367929136305

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1Z)-1-[2-(2-chloro-4-nitrophenyl)hydrazin-1-ylidene]-1,2-dihydronaphthalen-2-one

> <ALOGPS_LOGP>
4.28

> <JCHEM_LOGP>
4.865192617666667

> <ALOGPS_LOGS>
-5.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.654531028170775

> <JCHEM_PKA_STRONGEST_BASIC>
1.2402510501832278

> <JCHEM_POLAR_SURFACE_AREA>
87.28

> <JCHEM_REFRACTIVITY>
90.03219999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.38e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1Z)-1-[2-(2-chloro-4-nitrophenyl)hydrazin-1-ylidene]naphthalen-2-one

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol

> <CAS>
2814-77-9

$$$$