EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E3Y5SE9D4G
EPA CompTox	DTXSID0061327

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E3Y5SE9D4G

EPA CompTox

DTXSID0061327


InChI Key	FPTCVTJCJMVIDV-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CC(=O)NN
InChI	InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)

InChI Key

FPTCVTJCJMVIDV-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)CC(=O)NN

InChI

InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)

Property Name	Value
Molecular Formula	C8H10N2O1
Molecular Weight	150.08
AlogP	1.06
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	58.61
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H10N2O1

Molecular Weight

150.08

AlogP

1.06

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

58.61

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	937-39-3
NORMAN SUSDAT
FDA SRS	E3Y5SE9D4G
PubChem	70301
ChemSpider	63484.0

Resources

Reference

CAS NUMBER

937-39-3

NORMAN SUSDAT

FDA SRS

E3Y5SE9D4G

PubChem

70301

ChemSpider

63484.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

BENZENEACETIC ACID, HYDRAZIDE

Structure

Physicochemical Descriptors

Cross References