Molecule

ID:7490

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₂
Molecular Mass
140.1118032
Exact Mass
140.02735762
Charge
0
InChI
InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
InChIKey
QSBHJTCAPWOIIE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)O
Isomeric Smiles
c1c(c(cc(c1)C=O)F)O
Calculated Properties
JChem
Acid pKa
6.301777
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.461811
LogD (pH = 7.4)
0.436829
Log P
1.5248848
Molar Refractivity
34.8393
Polarizability
12.569688
Polar Surface Area
37.3
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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