Molecule

ID:99256

General Information
Structure
MolImage
Molecular Formula
C₁₂BrF₁₀P
Molecular Mass
444.990193
Exact Mass
443.87613083
Charge
0
InChI
InChI=1S/C12BrF10P/c13-24(11-7(20)3(16)1(14)4(17)8(11)21)12-9(22)5(18)2(15)6(19)10(12)23
InChIKey
WDFHFZAPZSABGO-UHFFFAOYSA-N
Canonic Smiles
BrP(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8345
LogD (pH = 7.4)
5.8345
Log P
5.8345
Molar Refractivity
67.0478
Polarizability
24.467192
Polar Surface Area
0.0
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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