Molecule

ID:98948

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₂
Molecular Mass
142.1276832
Exact Mass
142.04300768
Charge
0
InChI
InChI=1S/C7H7FO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKey
ORECFXMTZQZHSP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)O
Isomeric Smiles
Oc1cc(c(cc1)OC)F
Calculated Properties
JChem
Acid pKa
9.046656
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6545886
LogD (pH = 7.4)
1.6450804
Log P
1.6547111
Molar Refractivity
34.7185
Polarizability
13.174829
Polar Surface Area
29.46
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
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References
Bioactivity
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