Molecule

ID:7488

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₃
Molecular Mass
156.1112032
Exact Mass
156.02227224
Charge
0
InChI
InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey
IUSDEKNMCOUBEE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)F)O
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)F)O
Calculated Properties
JChem
Acid pKa
4.078123
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.035041813
LogD (pH = 7.4)
-1.6665188
Log P
1.4699653
Molar Refractivity
35.5115
Polarizability
13.100956
Polar Surface Area
57.53
Rotatable Bonds
1
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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