EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M48968U0YD
EPA CompTox	DTXSID30189756

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M48968U0YD

EPA CompTox

DTXSID30189756


InChI Key	MFFVZXOPRXMVET-UHFFFAOYSA-N
Smiles	Cc1ccc(cc1)C(=O)NN
InChI	InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

InChI Key

MFFVZXOPRXMVET-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)NN

InChI

InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

Property Name	Value
Molecular Formula	C8H10N2O1
Molecular Weight	150.08
AlogP	0.6
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	55.12
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H10N2O1

Molecular Weight

150.08

AlogP

0.6

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

55.12

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	3619-22-5
NORMAN SUSDAT
FDA SRS	M48968U0YD
PubChem	77174
ChemSpider	69607.0

Resources

Reference

CAS NUMBER

3619-22-5

NORMAN SUSDAT

FDA SRS

M48968U0YD

PubChem

77174

ChemSpider

69607.0

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

P-TOLUOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References