Molecule

ID:68818

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChIKey
DPHBKGYVIHTBDG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)cc(c1)F
Isomeric Smiles
Nc1cc(cc(c1)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.795995
LogD (pH = 7.4)
1.8003869
Log P
1.8004432
Molar Refractivity
36.016
Polarizability
12.891181
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
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Molecule Details
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References
Bioactivity
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