Molecule

ID:67379

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
WWYFPDXEIFBNKE-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(cc1)CO)O
Calculated Properties
JChem
Acid pKa
4.0631037
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.58552027
LogD (pH = 7.4)
-2.2582858
Log P
0.86347896
Molar Refractivity
40.1301
Polarizability
15.133807
Polar Surface Area
57.53
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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