Molecule

ID:15286

General Information
Structure
MolImage
Molecular Formula
C₁₂F₂₃N
Molecular Mass
595.0983736
Exact Mass
594.96634807
Charge
0
InChI
InChI=1S/C12F23N/c13-1(10(29,30)31)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)36-11(32,33)7(24,25)4(18,19)8(26,27)12(36,34)35
InChIKey
WDWGWHKCNGASHA-UHFFFAOYSA-N
Canonic Smiles
FC1(N2C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)C(F)(F)F
Isomeric Smiles
N1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)C1(C(C(C(C(C1(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.217932
LogD (pH = 7.4)
8.217932
Log P
8.217932
Molar Refractivity
59.223
Polarizability
23.62439
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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