Molecule

ID:7210

General Information
Structure
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Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)N
Isomeric Smiles
c1c(cc(c(c1)N)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7930099
LogD (pH = 7.4)
1.8003488
Log P
1.8004432
Molar Refractivity
36.016
Polarizability
12.891105
Polar Surface Area
26.02
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
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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