EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	45P12JNE0L
EPA CompTox	DTXSID60893995

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

45P12JNE0L

EPA CompTox

DTXSID60893995


InChI Key	QIJIOTTYIGBOQA-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O
InChI	InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)

InChI Key

QIJIOTTYIGBOQA-UHFFFAOYSA-N

Smiles

C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)

Property Name	Value
Molecular Formula	C15H11NO3
Molecular Weight	253.07
AlogP	3.02
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	73.58
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H11NO3

Molecular Weight

253.07

AlogP

3.02

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

73.58

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	14484-44-7
NORMAN SUSDAT
FDA SRS	45P12JNE0L
PubChem	115033
ChemSpider	102955.0

Resources

Reference

CAS NUMBER

14484-44-7

NORMAN SUSDAT

FDA SRS

45P12JNE0L

PubChem

115033

ChemSpider

102955.0

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

VIRIDICATOL

Structure

Physicochemical Descriptors

Cross References