EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	545F679M12
EPA CompTox	DTXSID00202042

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

545F679M12

EPA CompTox

DTXSID00202042


InChI Key	GUBHPEHRMYFCMM-UHFFFAOYSA-N
Smiles	NC(=O)N1C2=CC=CC=C2C(=O)C(=O)C2=CC=CC=C12
InChI	InChI=1S/C15H10N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8H,(H2,16,20)

InChI Key

GUBHPEHRMYFCMM-UHFFFAOYSA-N

Smiles

NC(=O)N1C2=CC=CC=C2C(=O)C(=O)C2=CC=CC=C12

InChI

InChI=1S/C15H10N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8H,(H2,16,20)

Property Name	Value
Molecular Formula	C15H10N2O3
Molecular Weight	266.07
AlogP	1.86
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	83.15
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H10N2O3

Molecular Weight

266.07

AlogP

1.86

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

83.15

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	537693-29-1
NORMAN SUSDAT
FDA SRS	545F679M12

Resources

Reference

CAS NUMBER

537693-29-1

NORMAN SUSDAT

FDA SRS

545F679M12

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

11-KETO OXCARBAZEPINE

Structure

Physicochemical Descriptors

Cross References