Molecule
ID:79649
General Information
Molecular Formula
C₃₉H₃₆Br₂P₂
Molecular Mass
726.458662
Exact Mass
724.06589841
Charge
0
InChI
InChI=1S/C39H36Br2P2/c40-42(34-20-7-1-8-21-34,35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-43(41,37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-31H,19,32-33H2
InChIKey
WFBRUEKTFHHPBB-UHFFFAOYSA-N
Canonic Smiles
BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)CCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)(c1ccccc1)(Br)CCCP(c1ccccc1)(c1ccccc1)(c1ccccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.9395
LogD (pH = 7.4)
11.9395
Log P
11.9395
Molar Refractivity
195.1172
Polarizability
75.79404
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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