EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J8Z7DD4G3A
EPA CompTox	DTXSID6059653

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J8Z7DD4G3A

EPA CompTox

DTXSID6059653


InChI Key	FBLAHUMENIHUGG-UHFFFAOYSA-N
Smiles	Cc1ccccc1NC(=O)c1cc2ccccc2cc1O
InChI	InChI=1S/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)

InChI Key

FBLAHUMENIHUGG-UHFFFAOYSA-N

Smiles

Cc1ccccc1NC(=O)c1cc2ccccc2cc1O

InChI

InChI=1S/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)

Property Name	Value
Molecular Formula	C18H15N1O2
Molecular Weight	277.11
AlogP	4.49
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	52.82
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H15N1O2

Molecular Weight

277.11

AlogP

4.49

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

52.82

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	135-61-5
NORMAN SUSDAT
FDA SRS	J8Z7DD4G3A
PubChem	67273
ChemSpider	60605.0

Resources

Reference

CAS NUMBER

135-61-5

NORMAN SUSDAT

FDA SRS

J8Z7DD4G3A

PubChem

67273

ChemSpider

60605.0

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

2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(2-METHYLPHENYL)-

Structure

Physicochemical Descriptors

Cross References