Molecule

ID:134959

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
YGSDEFSMJLZEOE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1O
Isomeric Smiles
c1ccc(c(c1)C(=O)O)O
Calculated Properties
JChem
Acid pKa
2.7897391
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6725287
LogD (pH = 7.4)
-1.5175761
Log P
1.9772635
Molar Refractivity
35.2951
Polarizability
13.635433
Polar Surface Area
57.53
Rotatable Bonds
1
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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