EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D7ZL4QG5SB
EPA CompTox	DTXSID50978846

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D7ZL4QG5SB

EPA CompTox

DTXSID50978846


InChI Key	ZAUBTQVVIVFNPC-GHXNOFRVSA-N
Smiles	O=C(NCC=NO)CC=1C=CC=CC1
InChI	InChI=1/C10H12N2O2/c13-10(11-6-7-12-14)8-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,11,13)

InChI Key

ZAUBTQVVIVFNPC-GHXNOFRVSA-N

Smiles

O=C(NCC=NO)CC=1C=CC=CC1

InChI

InChI=1/C10H12N2O2/c13-10(11-6-7-12-14)8-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,11,13)

Property Name	Value
Molecular Formula	C10H12N2O2
Molecular Weight	192.09
AlogP	1.65
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	65.18
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H12N2O2

Molecular Weight

192.09

AlogP

1.65

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

65.18

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	62972-89-8
NORMAN SUSDAT
FDA SRS	D7ZL4QG5SB
PubChem	5368367

Resources

Reference

CAS NUMBER

62972-89-8

NORMAN SUSDAT

FDA SRS

D7ZL4QG5SB

PubChem

5368367

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

2-(2-PHENYLACETAMIDO)ACETALDEHYDE OXIME

Structure

Physicochemical Descriptors

Cross References