Molecule

ID:96288

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FN
Molecular Mass
161.1756232
Exact Mass
161.06407748
Charge
0
InChI
InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey
MFNQFDZHIVUCOX-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CC1)c1ccc(cc1)F
Isomeric Smiles
N#CC1(c2ccc(cc2)F)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4469197
LogD (pH = 7.4)
2.4469197
Log P
2.4469197
Molar Refractivity
43.8346
Polarizability
16.46187
Polar Surface Area
23.79
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
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References
Bioactivity
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