EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1UT0PR32AJ
EPA CompTox	DTXSID20218201

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1UT0PR32AJ

EPA CompTox

DTXSID20218201


InChI Key	VPZIYMMSJFWLSP-UHFFFAOYSA-N
Smiles	NC(=O)N1c2ccccc2C=Cc2cc(O)ccc12
InChI	InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)

InChI Key

VPZIYMMSJFWLSP-UHFFFAOYSA-N

Smiles

NC(=O)N1c2ccccc2C=Cc2cc(O)ccc12

InChI

InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)

Property Name	Value
Molecular Formula	C15H12N2O2
Molecular Weight	252.09
AlogP	3.51
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Polar Surface Area	67.55
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H12N2O2

Molecular Weight

252.09

AlogP

3.51

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Polar Surface Area

67.55

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	68011-66-5
NORMAN SUSDAT
FDA SRS	1UT0PR32AJ
PubChem	129274
ChemSpider	114505.0

Resources

Reference

CAS NUMBER

68011-66-5

NORMAN SUSDAT

FDA SRS

1UT0PR32AJ

PubChem

129274

ChemSpider

114505.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-HYDROXYCARBAMAZEPINE

Structure

Physicochemical Descriptors

Cross References