Molecule

ID:3855

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
FJKROLUGYXJWQN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1ccc(O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.58
LogD (pH = 5.5)
0.18
Log P
1.33
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.38
Polar Surface Area
57.53
Polarizability
12.94
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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