EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4EN6E8HS8E
EPA CompTox	DTXSID00213810

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4EN6E8HS8E

EPA CompTox

DTXSID00213810


InChI Key	CCYHKRWGLAJQTB-UHFFFAOYSA-N
Smiles	CC(=O)N(O)c1ccc(O)cc1
InChI	InChI=1S/C8H9NO3/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,11-12H,1H3

InChI Key

CCYHKRWGLAJQTB-UHFFFAOYSA-N

Smiles

CC(=O)N(O)c1ccc(O)cc1

InChI

InChI=1S/C8H9NO3/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,11-12H,1H3

Property Name	Value
Molecular Formula	C8H9N1O3
Molecular Weight	167.06
AlogP	1.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	60.77
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H9N1O3

Molecular Weight

167.06

AlogP

1.13

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

60.77

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	63975-21-3
NORMAN SUSDAT
FDA SRS	4EN6E8HS8E
PubChem	45750
ChemSpider	41624.0

Resources

Reference

CAS NUMBER

63975-21-3

NORMAN SUSDAT

FDA SRS

4EN6E8HS8E

PubChem

45750

ChemSpider

41624.0

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

N-HYDROXYACETAMINOPHEN

Structure

Physicochemical Descriptors

Cross References