EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G8AQM6D0RK
EPA CompTox	DTXSID6059657

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G8AQM6D0RK

EPA CompTox

DTXSID6059657


InChI Key	GPRIERYVMZVKTC-UHFFFAOYSA-N
Smiles	c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
InChI	InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H

InChI Key

GPRIERYVMZVKTC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1

InChI

InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H

Property Name	Value
Molecular Formula	C24H18
Molecular Weight	306.14
AlogP	6.69
Number of Rotational Bond	3.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C24H18

Molecular Weight

306.14

AlogP

6.69

Number of Rotational Bond

3.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	135-70-6
NORMAN SUSDAT
FDA SRS	G8AQM6D0RK
PubChem	8677
ChemSpider	8353.0

Resources

Reference

CAS NUMBER

135-70-6

NORMAN SUSDAT

FDA SRS

G8AQM6D0RK

PubChem

8677

ChemSpider

8353.0

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

P-QUATERPHENYL

Structure

Physicochemical Descriptors

Cross References