EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XIA5Z82RHB
EPA CompTox	DTXSID90163416

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XIA5Z82RHB

EPA CompTox

DTXSID90163416


InChI Key	OAWXYINGQXLWOE-UHFFFAOYSA-N
Smiles	CC(=O)Oc1ccccc1C(=O)OC(=O)c1c(OC(=O)C)cccc1
InChI	InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3

InChI Key

OAWXYINGQXLWOE-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccccc1C(=O)OC(=O)c1c(OC(=O)C)cccc1

InChI

InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3

Property Name	Value
Molecular Formula	C18H14O7
Molecular Weight	342.07
AlogP	2.53
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	4.0
Polar Surface Area	95.97
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C18H14O7

Molecular Weight

342.07

AlogP

2.53

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

4.0

Polar Surface Area

95.97

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	1466-82-6
NORMAN SUSDAT
FDA SRS	XIA5Z82RHB
PubChem	15110
ChemSpider	14382.0

Resources

Reference

CAS NUMBER

1466-82-6

NORMAN SUSDAT

FDA SRS

XIA5Z82RHB

PubChem

15110

ChemSpider

14382.0

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

ACETYLSALICYLIC ANHYDRIDE

Structure

Physicochemical Descriptors

Cross References