EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T0MUF32GX6
EPA CompTox	DTXSID2059067

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T0MUF32GX6

EPA CompTox

DTXSID2059067


InChI Key	UIXFPIHXQQZAGX-UHFFFAOYSA-N
Smiles	COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChI	InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)

InChI Key

UIXFPIHXQQZAGX-UHFFFAOYSA-N

Smiles

COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1

InChI

InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)

Property Name	Value
Molecular Formula	C18H15N1O3
Molecular Weight	293.11
AlogP	3.81
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	58.56
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H15N1O3

Molecular Weight

293.11

AlogP

3.81

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

58.56

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	92-79-5
NORMAN SUSDAT
FDA SRS	T0MUF32GX6
PubChem	66721
ChemSpider	60087.0

Resources

Reference

CAS NUMBER

92-79-5

NORMAN SUSDAT

FDA SRS

T0MUF32GX6

PubChem

66721

ChemSpider

60087.0

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...

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Last update: Monday, 3 November 2025

2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(4-METHOXYPHENYL)-

Structure

Physicochemical Descriptors

Cross References