Molecule

ID:67636

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
InChIKey
CMVJYZNBMRJICR-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)cccc1F
Isomeric Smiles
Nc1c(cccc1C)F
Calculated Properties
JChem
Acid pKa
19.328905
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8001177
LogD (pH = 7.4)
1.8004391
Log P
1.8004432
Molar Refractivity
36.016
Polarizability
12.892341
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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