EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	45493KS618
EPA CompTox	DTXSID10156022

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

45493KS618

EPA CompTox

DTXSID10156022


InChI Key	QSRVMXWVVMILDI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)O
InChI	InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18)

InChI Key

QSRVMXWVVMILDI-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)O

InChI

InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18)

Property Name	Value
Molecular Formula	C15H11NO2
Molecular Weight	237.08
AlogP	3.31
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	53.35
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H11NO2

Molecular Weight

237.08

AlogP

3.31

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

53.35

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	129-24-8
NORMAN SUSDAT
FDA SRS	45493KS618
PubChem	67206
ChemSpider	60543.0

Resources

Reference

CAS NUMBER

129-24-8

NORMAN SUSDAT

FDA SRS

45493KS618

PubChem

67206

ChemSpider

60543.0

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

VIRIDICATIN

Structure

Physicochemical Descriptors

Cross References