EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AWJ7E4RKJ8
EPA CompTox	DTXSID7066980

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AWJ7E4RKJ8

EPA CompTox

DTXSID7066980


InChI Key	XXSCONYSQQLHTH-UHFFFAOYSA-N
Smiles	OCC1c2ccccc2c2c1cccc2
InChI	InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2

InChI Key

XXSCONYSQQLHTH-UHFFFAOYSA-N

Smiles

OCC1c2ccccc2c2c1cccc2

InChI

InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2

Property Name	Value
Molecular Formula	C14H12O1
Molecular Weight	196.09
AlogP	2.79
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H12O1

Molecular Weight

196.09

AlogP

2.79

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	24324-17-2
NORMAN SUSDAT
FDA SRS	AWJ7E4RKJ8
PubChem	90466
ChemSpider	81679.0

Resources

Reference

CAS NUMBER

24324-17-2

NORMAN SUSDAT

FDA SRS

AWJ7E4RKJ8

PubChem

90466

ChemSpider

81679.0

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

9H-FLUORENE-9-METHANOL

Structure

Physicochemical Descriptors

Cross References