Molecule
ID:54668
General Information
Molecular Formula
C₇H₅FO₃
Molecular Mass
156.1112032
Exact Mass
156.02227224
Charge
0
InChI
InChI=1S/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
InChIKey
PYZWGHVZOQTMCW-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(F)cc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(cc(c1)O)F)O
Calculated Properties
JChem
Acid pKa
3.527056
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.49601075
LogD (pH = 7.4)
-1.9235634
Log P
1.4699653
Molar Refractivity
35.5115
Polarizability
13.101162
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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