Molecule

ID:10322

General Information
Structure
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Molecular Formula
C₆H₁₀F₃N
Molecular Mass
153.1455096
Exact Mass
153.07653399
Charge
0
InChI
InChI=1S/C6H10F3N/c7-6(8,9)5-2-1-3-10-4-5/h5,10H,1-4H2
InChIKey
JOHFJTBDUSVGQB-UHFFFAOYSA-N
Canonic Smiles
FC(C1CCCNC1)(F)F
Isomeric Smiles
C1CNCC(C1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0088325
LogD (pH = 7.4)
-0.6509864
Log P
1.2166419
Molar Refractivity
32.0879
Polarizability
11.997225
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
No Data Available
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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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