1,2-BENZODIAZEPINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90155730

Structure

InChI Key SVUOLADPCWQTTE-UHFFFAOYSA-N
Smiles C1=Cc2ccccc2NN=C1
InChI
InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 2.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 24.39
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 12794-10-4
NORMAN SUSDAT
PubChem 134664
CONTENTS