Molecule
ID:100922
General Information
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKey
CERGYJCALDGESV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1F)C
Isomeric Smiles
Fc1c(cccc1C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3418715
LogD (pH = 7.4)
2.3418715
Log P
2.3418715
Molar Refractivity
37.8996
Polarizability
13.662042
Polar Surface Area
17.07
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
No Data Available
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Molecule Details
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References
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Bioactivity
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