EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WZF2BHU2EE
EPA CompTox	DTXSID20145881

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WZF2BHU2EE

EPA CompTox

DTXSID20145881


InChI Key	WEZBHKGNUIINBQ-UHFFFAOYSA-N
Smiles	[nH]1c2cc3ccccc3cc2[nH]c2c1cc1ccccc1c2
InChI	InChI=1S/C20H14N2/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18/h1-12,21-22H

InChI Key

WEZBHKGNUIINBQ-UHFFFAOYSA-N

Smiles

[nH]1c2cc3ccccc3cc2[nH]c2c1cc1ccccc1c2

InChI

InChI=1S/C20H14N2/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18/h1-12,21-22H

Property Name	Value
Molecular Formula	C20H14N2
Molecular Weight	282.12
AlogP	5.79
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	24.06
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H14N2

Molecular Weight

282.12

AlogP

5.79

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

24.06

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	10350-06-8
NORMAN SUSDAT
FDA SRS	WZF2BHU2EE
PubChem	82572
ChemSpider	74516.0

Resources

Reference

CAS NUMBER

10350-06-8

NORMAN SUSDAT

FDA SRS

WZF2BHU2EE

PubChem

82572

ChemSpider

74516.0

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

6,13-DIHYDRODIBENZO(B,I)PHENAZINE

Structure

Physicochemical Descriptors

Cross References