Molecule

ID:7791

General Information
Structure
MolImage
Molecular Formula
C₆H₅FO₂
Molecular Mass
128.1011032
Exact Mass
128.02735762
Charge
0
InChI
InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
Canonic Smiles
Oc1c(O)cccc1F
Isomeric Smiles
c1(c(c(ccc1)F)O)O
Calculated Properties
JChem
Acid pKa
8.445958
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5083293
LogD (pH = 7.4)
1.4717032
Log P
1.5088171
Molar Refractivity
30.2362
Polarizability
11.2952385
Polar Surface Area
40.46
Rotatable Bonds
0
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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