EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50232738

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50232738


InChI Key	MTZHJEBRPLTJNT-UHFFFAOYSA-N
Smiles	COc1ccc(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
InChI	InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)

InChI Key

MTZHJEBRPLTJNT-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1

InChI

InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)

Property Name	Value
Molecular Formula	C19H16N2O3
Molecular Weight	320.12
AlogP	3.5
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	70.92
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H16N2O3

Molecular Weight

320.12

AlogP

3.5

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

70.92

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	83833-17-4
NORMAN SUSDAT
PubChem	96764
ChemSpider	87368.0

Resources

Reference

CAS NUMBER

83833-17-4

NORMAN SUSDAT

PubChem

96764

ChemSpider

87368.0

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'-(4-METHOXYBENZOYL)-1-NAPHTHOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References