Molecule

ID:80160

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₀BrP
Molecular Mass
511.516361
Exact Mass
510.20509991
Charge
0
InChI
InChI=1S/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
InChIKey
NSIFOGPAKNSGNW-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCCCCCCCCC.[Br-]
Calculated Properties
JChem
LogD (pH = 7.4)
9.51
LogD (pH = 5.5)
9.51
Log P
9.51
Rotatable Bonds
14
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
53.78
Molar Refractivity
137.90
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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