Molecule

ID:99281

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
InChIKey
CUDJWROWEHMDIY-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)C)F
Isomeric Smiles
Fc1ncc(cc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.319047
LogD (pH = 7.4)
2.3190486
Log P
2.319049
Molar Refractivity
35.2146
Polarizability
12.627203
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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