Molecule

ID:52358

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆BrP
Molecular Mass
425.341001
Exact Mass
424.09554946
Charge
0
InChI
InChI=1S/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
InChIKey
QRAKRDZMIONMRZ-UHFFFAOYSA-M
Canonic Smiles
C1CCC(CC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCCCC1.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.3232837
LogD (pH = 7.4)
6.3232837
Log P
6.3232837
Molar Refractivity
108.2846
Polarizability
42.921986
Polar Surface Area
0.0
Rotatable Bonds
4
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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