EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XX4Y7I0FTT
EPA CompTox	DTXSID10181839

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XX4Y7I0FTT

EPA CompTox

DTXSID10181839


InChI Key	YIVWQNVQRXFZJB-UHFFFAOYSA-N
Smiles	O=C(O)CCC(=O)c1ccccc1C(=O)O
InChI	InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

InChI Key

YIVWQNVQRXFZJB-UHFFFAOYSA-N

Smiles

O=C(O)CCC(=O)c1ccccc1C(=O)O

InChI

InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

Property Name	Value
Molecular Formula	C11H10O5
Molecular Weight	222.05
AlogP	1.43
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	91.67
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H10O5

Molecular Weight

222.05

AlogP

1.43

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

91.67

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	27415-09-4
NORMAN SUSDAT
FDA SRS	XX4Y7I0FTT
PubChem	955

Resources

Reference

CAS NUMBER

27415-09-4

NORMAN SUSDAT

FDA SRS

XX4Y7I0FTT

PubChem

955

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

O-SUCCINYLBENZOATE

Structure

Physicochemical Descriptors

Cross References