EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9FYU45OV9H
EPA CompTox	DTXSID9047592

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9FYU45OV9H

EPA CompTox

DTXSID9047592


InChI Key	DZKIUEHLEXLYKM-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)O
InChI	InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H

InChI Key

DZKIUEHLEXLYKM-UHFFFAOYSA-N

Smiles

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)O

InChI

InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H

Property Name	Value
Molecular Formula	C14H10O1
Molecular Weight	194.07
AlogP	3.7
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H10O1

Molecular Weight

194.07

AlogP

3.7

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	484-17-3
NORMAN SUSDAT
FDA SRS	9FYU45OV9H
PubChem	10229
ChemSpider	9812.0

Resources

Reference

CAS NUMBER

484-17-3

NORMAN SUSDAT

FDA SRS

9FYU45OV9H

PubChem

10229

ChemSpider

9812.0

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

9-PHENANTHROL

Structure

Physicochemical Descriptors

Cross References