Molecule

ID:70532

General Information
Structure
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Molecular Formula
C₁₂H₂₄BrF₆N₃P₂
Molecular Mass
466.1810012
Exact Mass
465.05330236
Charge
0
InChI
InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKey
CYKRMWNZYOIJCH-UHFFFAOYSA-N
Canonic Smiles
F[P-](F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1
Isomeric Smiles
[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)Br.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2994652
LogD (pH = 7.4)
0.2994652
Log P
0.2994652
Molar Refractivity
78.5536
Polarizability
31.029436
Polar Surface Area
9.72
Rotatable Bonds
3
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
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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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