Molecule

ID:97262

General Information
Structure
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Molecular Formula
C₈H₇F
Molecular Mass
122.1395832
Exact Mass
122.05317844
Charge
0
InChI
InChI=1S/C8H7F/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey
ZJSKEGAHBAHFON-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cccc(c1)F
Isomeric Smiles
Fc1cccc(c1)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.85265
LogD (pH = 7.4)
2.85265
Log P
2.85265
Molar Refractivity
35.9607
Polarizability
13.49041
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
No Data Available
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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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