EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	26U62M9BEU
EPA CompTox	DTXSID10220676

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

26U62M9BEU

EPA CompTox

DTXSID10220676


InChI Key	WLUGVRXHDCWYLA-UHFFFAOYSA-N
Smiles	Cc1cc2c(cc1)N(C(=O)N)c1c(cccc1)C=C2
InChI	InChI=1S/C16H14N2O/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)18(15)16(17)19/h2-10H,1H3,(H2,17,19)

InChI Key

WLUGVRXHDCWYLA-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1)N(C(=O)N)c1c(cccc1)C=C2

InChI

InChI=1S/C16H14N2O/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)18(15)16(17)19/h2-10H,1H3,(H2,17,19)

Property Name	Value
Molecular Formula	C16H14N2O1
Molecular Weight	250.11
AlogP	4.11
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	47.32
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H14N2O1

Molecular Weight

250.11

AlogP

4.11

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

47.32

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	70401-32-0
NORMAN SUSDAT
FDA SRS	26U62M9BEU
PubChem	719579
ChemSpider	203618.0

Resources

Reference

CAS NUMBER

70401-32-0

NORMAN SUSDAT

FDA SRS

26U62M9BEU

PubChem

719579

ChemSpider

203618.0

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

2-METHYL-5H-DIBENZ(B,F)AZEPINE-5-CARBOXAMIDE

Structure

Physicochemical Descriptors

Cross References