Molecule

ID:85328

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂Br₂IP
Molecular Mass
616.107011
Exact Mass
613.88705933
Charge
0
InChI
InChI=1S/C23H22Br2P.HI/c1-18-22(23(18,24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1
InChIKey
IUKBQBKSHDZHGA-UHFFFAOYSA-M
Canonic Smiles
CC1C(C1(Br)Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC1C(C1C)(Br)Br.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.692365
LogD (pH = 7.4)
6.692365
Log P
6.692365
Molar Refractivity
119.2296
Polarizability
46.160793
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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