EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YRV74DH8FC
EPA CompTox	DTXSID8061632

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YRV74DH8FC

EPA CompTox

DTXSID8061632


InChI Key	PQEZHJRKUSZEBK-UHFFFAOYSA-N
Smiles	CN(N(C)C(=O)c1ccccc1)C(=O)c1ccccc1
InChI	InChI=1S/C16H16N2O2/c1-17(15(19)13-9-5-3-6-10-13)18(2)16(20)14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

PQEZHJRKUSZEBK-UHFFFAOYSA-N

Smiles

CN(N(C)C(=O)c1ccccc1)C(=O)c1ccccc1

InChI

InChI=1S/C16H16N2O2/c1-17(15(19)13-9-5-3-6-10-13)18(2)16(20)14-11-7-4-8-12-14/h3-12H,1-2H3

Property Name	Value
Molecular Formula	C16H16N2O2
Molecular Weight	268.12
AlogP	2.45
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	40.62
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H16N2O2

Molecular Weight

268.12

AlogP

2.45

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

40.62

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	1226-43-3
NORMAN SUSDAT
FDA SRS	YRV74DH8FC
PubChem	71044
ChemSpider	64202.0

Resources

Reference

CAS NUMBER

1226-43-3

NORMAN SUSDAT

FDA SRS

YRV74DH8FC

PubChem

71044

ChemSpider

64202.0

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

BENZOIC ACID, 2-BENZOYL-1,2-DIMETHYLHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References