EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YT55G9EFN6
EPA CompTox	DTXSID00176794

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YT55G9EFN6

EPA CompTox

DTXSID00176794


InChI Key	PZZIWXQGJNDBRF-UHFFFAOYSA-N
Smiles	C1C(Cc2c1cccc2)c1ccccc1
InChI	InChI=1S/C15H14/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2

InChI Key

PZZIWXQGJNDBRF-UHFFFAOYSA-N

Smiles

C1C(Cc2c1cccc2)c1ccccc1

InChI

InChI=1S/C15H14/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2

Property Name	Value
Molecular Formula	C15H14
Molecular Weight	194.11
AlogP	3.57
Number of Rotational Bond	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C15H14

Molecular Weight

194.11

AlogP

3.57

Number of Rotational Bond

1.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	22253-11-8
NORMAN SUSDAT
FDA SRS	YT55G9EFN6
PubChem	89638
ChemSpider	80903.0

Resources

Reference

CAS NUMBER

22253-11-8

NORMAN SUSDAT

FDA SRS

YT55G9EFN6

PubChem

89638

ChemSpider

80903.0

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

2-PHENYLINDAN

Structure

Physicochemical Descriptors

Cross References