Molecule

ID:97052

General Information
Structure
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Molecular Formula
C₉H₉F
Molecular Mass
136.1661632
Exact Mass
136.06882851
Charge
0
InChI
InChI=1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChIKey
VIXHMBLBLJSGIB-UHFFFAOYSA-N
Canonic Smiles
CC(=C)c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)C(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1520445
LogD (pH = 7.4)
3.1520445
Log P
3.1520445
Molar Refractivity
40.2427
Polarizability
15.332715
Polar Surface Area
0.0
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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