EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	N4KMW6X8MQ
EPA CompTox	DTXSID701299588

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

N4KMW6X8MQ

EPA CompTox

DTXSID701299588


InChI Key	JHNRZXQVBKRYKN-UHFFFAOYSA-N
Smiles	C/C(=NO)/c1ccccc1
InChI	InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+

InChI Key

JHNRZXQVBKRYKN-UHFFFAOYSA-N

Smiles

C/C(=NO)/c1ccccc1

InChI

InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+

Property Name	Value
Molecular Formula	C8H9N1O1
Molecular Weight	135.07
AlogP	1.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.59
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H9N1O1

Molecular Weight

135.07

AlogP

1.88

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.59

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	10341-75-0
NORMAN SUSDAT
FDA SRS	N4KMW6X8MQ
PubChem	69185
ChemSpider	62400.0

Resources

Reference

CAS NUMBER

10341-75-0

NORMAN SUSDAT

FDA SRS

N4KMW6X8MQ

PubChem

69185

ChemSpider

62400.0

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

ETHANONE, 1-PHENYL-, OXIME

Structure

Physicochemical Descriptors

Cross References