EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DY3R2AU9P9
EPA CompTox	DTXSID90211668

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DY3R2AU9P9

EPA CompTox

DTXSID90211668


InChI Key	DRXLHYPPJRAJSL-UHFFFAOYSA-N
Smiles	Nc1cc(NC=O)ccc1
InChI	InChI=1S/C7H8N2O/c8-6-2-1-3-7(4-6)9-5-10/h1-5H,8H2,(H,9,10)

InChI Key

DRXLHYPPJRAJSL-UHFFFAOYSA-N

Smiles

Nc1cc(NC=O)ccc1

InChI

InChI=1S/C7H8N2O/c8-6-2-1-3-7(4-6)9-5-10/h1-5H,8H2,(H,9,10)

Property Name	Value
Molecular Formula	C7H8N2O1
Molecular Weight	136.06
AlogP	1.49
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	58.61
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H8N2O1

Molecular Weight

136.06

AlogP

1.49

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

58.61

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	6262-24-4
NORMAN SUSDAT
FDA SRS	DY3R2AU9P9
PubChem	80426
ChemSpider	72640.0

Resources

Reference

CAS NUMBER

6262-24-4

NORMAN SUSDAT

FDA SRS

DY3R2AU9P9

PubChem

80426

ChemSpider

72640.0

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

N-(3-AMINOPHENYL)FORMAMIDE

Structure

Physicochemical Descriptors

Cross References