EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DPZ41NV570
EPA CompTox	DTXSID70168242

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DPZ41NV570

EPA CompTox

DTXSID70168242


InChI Key	SKVPTPMWXJSBTF-UHFFFAOYSA-N
Smiles	Cc1c(O)c(=O)n(-c2ccccc2)n1C
InChI	InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3

InChI Key

SKVPTPMWXJSBTF-UHFFFAOYSA-N

Smiles

Cc1c(O)c(=O)n(-c2ccccc2)n1C

InChI

InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3

Property Name	Value
Molecular Formula	C11H12N2O2
Molecular Weight	204.09
AlogP	1.19
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	47.16
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H12N2O2

Molecular Weight

204.09

AlogP

1.19

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

47.16

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1672-63-5
NORMAN SUSDAT
FDA SRS	DPZ41NV570
PubChem	98889
ChemSpider	89318.0

Resources

Reference

CAS NUMBER

1672-63-5

NORMAN SUSDAT

FDA SRS

DPZ41NV570

PubChem

98889

ChemSpider

89318.0

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

4-HYDROXYANTIPYRINE

Structure

Physicochemical Descriptors

Cross References