EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E0T985Y674
EPA CompTox	DTXSID20206401

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E0T985Y674

EPA CompTox

DTXSID20206401


InChI Key	TZIQWQARHPGHIG-UHFFFAOYSA-N
Smiles	OC=1C=CC2=C(O)C=3C=CC=CC3C=C2C1O
InChI	InChI=1/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H

InChI Key

TZIQWQARHPGHIG-UHFFFAOYSA-N

Smiles

OC=1C=CC2=C(O)C=3C=CC=CC3C=C2C1O

InChI

InChI=1/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H

Property Name	Value
Molecular Formula	C14H10O3
Molecular Weight	226.06
AlogP	3.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	60.69
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H10O3

Molecular Weight

226.06

AlogP

3.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

60.69

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	577-33-3
NORMAN SUSDAT
FDA SRS	E0T985Y674
PubChem	11342

Resources

Reference

CAS NUMBER

577-33-3

NORMAN SUSDAT

FDA SRS

E0T985Y674

PubChem

11342

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

ANTHRACENE-1,2,10-TRIOL

Structure

Physicochemical Descriptors

Cross References