Molecule
ID:117100
General Information
Molecular Formula
C₁₂H₁₆FN
Molecular Mass
193.2605432
Exact Mass
193.12667774
Charge
0
InChI
InChI=1S/C12H16FN/c13-12-6-4-10(5-7-12)11-3-1-2-8-14-9-11/h4-7,11,14H,1-3,8-9H2
InChIKey
QUVJBKWHZZDCQC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CCCCNC1
Isomeric Smiles
N1CC(c2ccc(cc2)F)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.48715264
LogD (pH = 7.4)
-0.0074395393
Log P
2.743535
Molar Refractivity
56.2194
Polarizability
21.744036
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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