Molecule

ID:7874

General Information
Structure
MolImage
Molecular Formula
C₁₀F₁₉N
Molecular Mass
495.0833608
Exact Mass
494.97273519
Charge
0
InChI
InChI=1S/C10F19N/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29
InChIKey
QXBUHLMUCFBZOL-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C#N)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.5720735
LogD (pH = 7.4)
6.5720735
Log P
6.5720735
Molar Refractivity
49.9772
Polarizability
19.648304
Polar Surface Area
23.79
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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