EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	72K8NF5PDA
EPA CompTox	DTXSID7069574

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

72K8NF5PDA

EPA CompTox

DTXSID7069574


InChI Key	XVTUURKWLLHGKX-UHFFFAOYSA-N
Smiles	COC(=O)N/N=C(/CO)c1ccccc1
InChI	InChI=1S/C10H12N2O3/c1-15-10(14)12-11-9(7-13)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,12,14)/b11-9-

InChI Key

XVTUURKWLLHGKX-UHFFFAOYSA-N

Smiles

COC(=O)N/N=C(/CO)c1ccccc1

InChI

InChI=1S/C10H12N2O3/c1-15-10(14)12-11-9(7-13)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,12,14)/b11-9-

Property Name	Value
Molecular Formula	C10H12N2O3
Molecular Weight	208.08
AlogP	0.94
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	74.41
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H12N2O3

Molecular Weight

208.08

AlogP

0.94

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

74.41

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	62501-40-0
NORMAN SUSDAT
FDA SRS	72K8NF5PDA
PubChem	112493
ChemSpider	7851049.0

Resources

Reference

CAS NUMBER

62501-40-0

NORMAN SUSDAT

FDA SRS

72K8NF5PDA

PubChem

112493

ChemSpider

7851049.0

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

HYDRAZINECARBOXYLIC ACID, (2-HYDROXY-1-PHENYLETHYLIDENE)-, METHYL ESTER

Structure

Physicochemical Descriptors

Cross References