EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZFV8ASZ93U
EPA CompTox	DTXSID7063475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZFV8ASZ93U

EPA CompTox

DTXSID7063475


InChI Key	GGFCTWROTWQWED-UHFFFAOYSA-N
Smiles	Oc1cc2c(oc3c2cccc3)cc1C(=O)Nc1c2ccccc2ccc1
InChI	InChI=1S/C23H15NO3/c25-20-12-17-16-9-3-4-11-21(16)27-22(17)13-18(20)23(26)24-19-10-5-7-14-6-1-2-8-15(14)19/h1-13,25H,(H,24,26)

InChI Key

GGFCTWROTWQWED-UHFFFAOYSA-N

Smiles

Oc1cc2c(oc3c2cccc3)cc1C(=O)Nc1c2ccccc2ccc1

InChI

InChI=1S/C23H15NO3/c25-20-12-17-16-9-3-4-11-21(16)27-22(17)13-18(20)23(26)24-19-10-5-7-14-6-1-2-8-15(14)19/h1-13,25H,(H,24,26)

Property Name	Value
Molecular Formula	C23H15N1O3
Molecular Weight	353.11
AlogP	6.08
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	65.96
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C23H15N1O3

Molecular Weight

353.11

AlogP

6.08

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

65.96

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	4444-48-8
NORMAN SUSDAT
FDA SRS	ZFV8ASZ93U
PubChem	78186
ChemSpider	70562.0

Resources

Reference

CAS NUMBER

4444-48-8

NORMAN SUSDAT

FDA SRS

ZFV8ASZ93U

PubChem

78186

ChemSpider

70562.0

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

3-DIBENZOFURANCARBOXAMIDE, 2-HYDROXY-N-1-NAPHTHALENYL-

Structure

Physicochemical Descriptors

Cross References