EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UW36K5EES8
EPA CompTox	DTXSID00151344

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UW36K5EES8

EPA CompTox

DTXSID00151344


InChI Key	CVJGNNYDVQYHEO-UHFFFAOYSA-N
Smiles	CC(=O)Oc1c(cc2ccccc2c1)C(=O)Nc1ccccc1
InChI	InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)

InChI Key

CVJGNNYDVQYHEO-UHFFFAOYSA-N

Smiles

CC(=O)Oc1c(cc2ccccc2c1)C(=O)Nc1ccccc1

InChI

InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)

Property Name	Value
Molecular Formula	C19H15N1O3
Molecular Weight	305.11
AlogP	4.4
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	58.89
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H15N1O3

Molecular Weight

305.11

AlogP

4.4

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

58.89

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	1163-67-3
NORMAN SUSDAT
FDA SRS	UW36K5EES8
PubChem	96045
ChemSpider	86709.0

Resources

Reference

CAS NUMBER

1163-67-3

NORMAN SUSDAT

FDA SRS

UW36K5EES8

PubChem

96045

ChemSpider

86709.0

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-(N-PHENYLCARBAMOYL)-3-NAPHTHYL ACETATE

Structure

Physicochemical Descriptors

Cross References