EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q9EG0RBA6B
EPA CompTox	DTXSID60210320

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q9EG0RBA6B

EPA CompTox

DTXSID60210320


InChI Key	SQMOOVFBFVTTGF-UHFFFAOYSA-N
Smiles	NN(Cc1ccccc1)c1ccccc1
InChI	InChI=1S/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2

InChI Key

SQMOOVFBFVTTGF-UHFFFAOYSA-N

Smiles

NN(Cc1ccccc1)c1ccccc1

InChI

InChI=1S/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2

Property Name	Value
Molecular Formula	C13H14N2
Molecular Weight	198.12
AlogP	2.57
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	29.26
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H14N2

Molecular Weight

198.12

AlogP

2.57

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

29.26

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	614-31-3
NORMAN SUSDAT
FDA SRS	Q9EG0RBA6B
PubChem	69192
ChemSpider	62406.0

Resources

Reference

CAS NUMBER

614-31-3

NORMAN SUSDAT

FDA SRS

Q9EG0RBA6B

PubChem

69192

ChemSpider

62406.0

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

N-BENZYL-N-PHENYLHYDRAZINE

Structure

Physicochemical Descriptors

Cross References