Molecule
ID:100065
General Information
Molecular Formula
C₇H₇FO₂
Molecular Mass
142.1276832
Exact Mass
142.04300768
Charge
0
InChI
InChI=1S/C7H7FO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
FCJHBXCQIOVMEM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)O
Isomeric Smiles
O(c1cc(c(cc1)O)F)C
Calculated Properties
JChem
Acid pKa
8.8705015
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6545274
LogD (pH = 7.4)
1.6403579
Log P
1.6547111
Molar Refractivity
34.7185
Polarizability
13.174841
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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