EcoDrugPlus


Synonyms	Benzodiazepine
Status
Molecule Category	Free-form
UNII	M0Q7802G2B
EPA CompTox	DTXSID90155730

Synonyms

Benzodiazepine

Status

Molecule Category

Free-form

UNII

M0Q7802G2B

EPA CompTox

DTXSID90155730


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

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

Property Name	Value
Molecular Formula	C9H8N2
Molecular Weight	144.18
AlogP	2.11
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	24.39
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H8N2

Molecular Weight

144.18

AlogP

2.11

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

24.39

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

11.0

Resources	Reference
ChEMBL	CHEMBL4297264
DrugBank	DB12537
FDA SRS	M0Q7802G2B
SureChEMBL	SCHEMBL8137

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZODIAZEPINE

Structure

Physicochemical Descriptors

Cross References