Molecule

ID:65976

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂
Molecular Mass
192.2327232
Exact Mass
192.10627665
Charge
0
InChI
InChI=1S/C11H13FN2/c1-11(2,8-13)14-7-9-3-5-10(12)6-4-9/h3-6,14H,7H2,1-2H3
InChIKey
USASFFCNYLQASN-UHFFFAOYSA-N
Canonic Smiles
N#CC(NCc1ccc(cc1)F)(C)C
Isomeric Smiles
N#CC(NCc1ccc(F)cc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0394838
LogD (pH = 7.4)
2.2091043
Log P
2.2117589
Molar Refractivity
53.7935
Polarizability
20.551605
Polar Surface Area
35.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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