EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GK4C2D295B

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GK4C2D295B


InChI Key	DZUCCHIIOCXBTD-UHFFFAOYSA-N
Smiles	C1NCC(=N1)CC2=Cc3ccccc3CC2
InChI	InChI=1S/C14H16N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,15H,5-6,8-10H2

InChI Key

DZUCCHIIOCXBTD-UHFFFAOYSA-N

Smiles

C1NCC(=N1)CC2=Cc3ccccc3CC2

InChI

InChI=1S/C14H16N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,15H,5-6,8-10H2

Property Name	Value
Molecular Formula	C14H16N2
Molecular Weight	212.13
AlogP	2.41
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	24.39
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H16N2

Molecular Weight

212.13

AlogP

2.41

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

24.39

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	91524-14-0
NORMAN SUSDAT
FDA SRS	GK4C2D295B

Resources

Reference

CAS NUMBER

91524-14-0

NORMAN SUSDAT

FDA SRS

GK4C2D295B

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

NAPAMEZOLE

Structure

Physicochemical Descriptors

Cross References