Molecule

ID:89797

General Information
Structure
MolImage
Molecular Formula
C₄₀H₃₈Br₂P₂
Molecular Mass
740.485242
Exact Mass
738.08154848
Charge
0
InChI
InChI=1S/C40H38P2.2BrH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,19-20,33-34H2;2*1H/q+2;;/p-2
InChIKey
WTFXVDWCEPLDDY-UHFFFAOYSA-L
Canonic Smiles
C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.66138
LogD (pH = 7.4)
9.66138
Log P
9.66138
Molar Refractivity
181.9834
Polarizability
71.815025
Polar Surface Area
0.0
Rotatable Bonds
11
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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