EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7K6U6T1360
EPA CompTox	DTXSID40198273

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7K6U6T1360

EPA CompTox

DTXSID40198273


InChI Key	LZRDDINFIHUVCX-UHFFFAOYSA-N
Smiles	OC(=O)Cc1c(c(nn1c1ccccc1)c1ccccc1)c1ccccc1
InChI	InChI=1S/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)

InChI Key

LZRDDINFIHUVCX-UHFFFAOYSA-N

Smiles

OC(=O)Cc1c(c(nn1c1ccccc1)c1ccccc1)c1ccccc1

InChI

InChI=1S/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)

Property Name	Value
Molecular Formula	C23H18N2O2
Molecular Weight	354.14
AlogP	4.83
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	55.12
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C23H18N2O2

Molecular Weight

354.14

AlogP

4.83

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

55.12

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	50270-33-2
NORMAN SUSDAT
FDA SRS	7K6U6T1360
PubChem	68677
ChemSpider	61931.0

Resources

Reference

CAS NUMBER

50270-33-2

NORMAN SUSDAT

FDA SRS

7K6U6T1360

PubChem

68677

ChemSpider

61931.0

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

ISOFEZOLAC

Structure

Physicochemical Descriptors

Cross References