Molecule

ID:28828

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
VLWRKVBQUANIGI-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1)F
Isomeric Smiles
c1(NC)ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5156429
LogD (pH = 7.4)
1.5877246
Log P
1.5887259
Molar Refractivity
36.4682
Polarizability
12.965328
Polar Surface Area
12.03
Rotatable Bonds
1
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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