EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GHW4ZAS356
EPA CompTox	DTXSID20197421

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GHW4ZAS356

EPA CompTox

DTXSID20197421


InChI Key	RZPBZEISZUFQSV-UHFFFAOYSA-N
Smiles	Nc1c2ccccc2c(cc1)c1c2ccccc2c(N)cc1
InChI	InChI=1S/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2

InChI Key

RZPBZEISZUFQSV-UHFFFAOYSA-N

Smiles

Nc1c2ccccc2c(cc1)c1c2ccccc2c(N)cc1

InChI

InChI=1S/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2

Property Name	Value
Molecular Formula	C20H16N2
Molecular Weight	284.13
AlogP	4.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	52.04
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H16N2

Molecular Weight

284.13

AlogP

4.82

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

52.04

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	481-91-4
NORMAN SUSDAT
FDA SRS	GHW4ZAS356
PubChem	68078
ChemSpider	61390.0

Resources

Reference

CAS NUMBER

481-91-4

NORMAN SUSDAT

FDA SRS

GHW4ZAS356

PubChem

68078

ChemSpider

61390.0

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

1,1'-BINAPHTHYL-4,4'-YLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References