Molecule

ID:12183

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₃
Molecular Mass
156.1112032
Exact Mass
156.02227224
Charge
0
InChI
InChI=1S/C7H5FO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey
NXWTWYULZRDBSA-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)C(=O)O
Isomeric Smiles
c1c(cc(c(c1)C(=O)O)F)O
Calculated Properties
JChem
Acid pKa
3.629985
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3966152
LogD (pH = 7.4)
-1.8756982
Log P
1.4699653
Molar Refractivity
35.5115
Polarizability
13.101828
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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