Molecule

ID:74080

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₃
Molecular Mass
150.13144
Exact Mass
150.03169405
Charge
0
InChI
InChI=1S/C8H6O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-5,11H
InChIKey
FEUATHOQKVGPEK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)C=O)O
Isomeric Smiles
O=Cc1c(ccc(c1)C=O)O
Calculated Properties
JChem
Acid pKa
6.2328334
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6716175
LogD (pH = 7.4)
0.5977352
Log P
1.7446852
Molar Refractivity
41.2069
Polarizability
14.748507
Polar Surface Area
54.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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