EcoDrugPlus


Keyword(s):	Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals
Molecule Category	Free-form
UNII	JG8Z55Y12H
EPA CompTox	DTXSID3026647

Keyword(s):

Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals

Molecule Category

Free-form

UNII

JG8Z55Y12H

EPA CompTox

DTXSID3026647


InChI Key	FJKROLUGYXJWQN-UHFFFAOYSA-N
Smiles	OC(=O)c1ccc(O)cc1
InChI	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

FJKROLUGYXJWQN-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc(O)cc1

InChI

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

Property Name	Value
Molecular Formula	C7H6O3
Molecular Weight	138.03
AlogP	1.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	57.53
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H6O3

Molecular Weight

138.03

AlogP

1.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

57.53

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	99-96-7
NORMAN SUSDAT
FDA SRS	JG8Z55Y12H
PubChem	3702506
ChemSpider	132.0

Resources

Reference

CAS NUMBER

99-96-7

NORMAN SUSDAT

FDA SRS

JG8Z55Y12H

PubChem

3702506

ChemSpider

132.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

4-HYDROXYBENZOIC ACID

Structure

Physicochemical Descriptors

Cross References