Molecule

ID:9829

General Information
Structure
MolImage
Molecular Formula
C₁₅F₃₃N
Molecular Mass
821.1145056
Exact Mass
820.95038027
Charge
0
InChI
InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42
InChIKey
AQZYBQIAUSKCCS-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
N(C(C(C(C(F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
11.905659
LogD (pH = 7.4)
11.905659
Log P
11.905659
Molar Refractivity
80.0457
Polarizability
31.258759
Polar Surface Area
3.24
Rotatable Bonds
15
Lipinski's Rule of Five
false
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
References
Bioactivity
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