EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4A2B091F0G
EPA CompTox	DTXSID7061857

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4A2B091F0G

EPA CompTox

DTXSID7061857


InChI Key	DHDHJYNTEFLIHY-UHFFFAOYSA-N
Smiles	c1ccc(cc1)c1ccnc2c1ccc1c(ccnc21)c1ccccc1
InChI	InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H

InChI Key

DHDHJYNTEFLIHY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c1ccnc2c1ccc1c(ccnc21)c1ccccc1

InChI

InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H

Property Name	Value
Molecular Formula	C24H16N2
Molecular Weight	332.13
AlogP	6.12
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	25.78
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H16N2

Molecular Weight

332.13

AlogP

6.12

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

25.78

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	1662-01-7
NORMAN SUSDAT
FDA SRS	4A2B091F0G
PubChem	72812
ChemSpider	65648.0

Resources

Reference

CAS NUMBER

1662-01-7

NORMAN SUSDAT

FDA SRS

4A2B091F0G

PubChem

72812

ChemSpider

65648.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,10-PHENANTHROLINE, 4,7-DIPHENYL-

Structure

Physicochemical Descriptors

Cross References