Molecule

ID:9809

General Information
Structure
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Molecular Formula
C₁₂F₂₇N
Molecular Mass
671.0919864
Exact Mass
670.95996095
Charge
0
InChI
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
InChIKey
RVZRBWKZFJCCIB-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(F)F)(F)F)(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.803731
LogD (pH = 7.4)
9.803731
Log P
9.803731
Molar Refractivity
66.0417
Polarizability
25.50428
Polar Surface Area
3.24
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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