Mrv0541 09211104552D          

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M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D2903

> <SMILES>
CN1C2=CC=C(Cl)C=C2C(=NCC1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

> <INCHI_KEY>
InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
29.386528122880037

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
284.071640755

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C16H13ClN2O

> <JCHEM_IUPAC>
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

> <JCHEM_LOGP>
3.0760865673333337

> <JCHEM_MASS>
284.74

> <JCHEM_POLAR_SURFACE_AREA>
32.67

> <JCHEM_REFRACTIVITY>
79.81190000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_TRADITIONAL_IUPAC>
diazepam

$$$$