Molecule

ID:125351

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
InChIKey
IADQVXRMSNIUEL-UHFFFAOYSA-N
Canonic Smiles
O=CCc1ccc(c(c1)O)O
Isomeric Smiles
Oc1ccc(CC=O)cc1O
Calculated Properties
JChem
LogD (pH = 7.4)
0.84
LogD (pH = 5.5)
0.85
Log P
0.85
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.27
Polar Surface Area
57.53
Polarizability
14.80
Molar Refractivity
40.40
LOG S
-0.08
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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