Molecule

ID:89764

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
IJFXRHURBJZNAO-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(ccc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.92
LogD (pH = 5.5)
-0.33
Log P
1.33
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.84
Polar Surface Area
57.53
Polarizability
12.92
Molar Refractivity
35.30
LOG S
-1.07
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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