Molecule
ID:97822
General Information
Molecular Formula
C₈H₈FN
Molecular Mass
137.1542232
Exact Mass
137.06407748
Charge
0
InChI
InChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChIKey
CMQOXZRRFDMQKY-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1CCN2
Isomeric Smiles
N1c2cccc(c2CC1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6162869
LogD (pH = 7.4)
1.628457
Log P
1.6286144
Molar Refractivity
39.7778
Polarizability
14.0055485
Polar Surface Area
12.03
Rotatable Bonds
0
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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