EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NS424488W5
EPA CompTox	DTXSID80202166

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NS424488W5

EPA CompTox

DTXSID80202166


InChI Key	XAMBIJWZVIZZOG-UHFFFAOYSA-N
Smiles	[Cl-].Cc1ccc(NN)cc1.[H+]
InChI	InChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3

InChI Key

XAMBIJWZVIZZOG-UHFFFAOYSA-N

Smiles

[Cl-].Cc1ccc(NN)cc1.[H+]

InChI

InChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.28
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	38.05
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.28

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

38.05

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	539-44-6
NORMAN SUSDAT
FDA SRS	NS424488W5
PubChem	10875
ChemSpider	10415.0

Resources

Reference

CAS NUMBER

539-44-6

NORMAN SUSDAT

FDA SRS

NS424488W5

PubChem

10875

ChemSpider

10415.0

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

4-METHYLPHENYLHYDRAZINE

Structure

Physicochemical Descriptors

Cross References