Molecule

ID:80772

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄BrP
Molecular Mass
399.303721
Exact Mass
398.0798994
Charge
0
InChI
InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey
IKWKJIWDLVYZIY-UHFFFAOYSA-M
Canonic Smiles
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.95169
LogD (pH = 7.4)
5.95169
Log P
5.95169
Molar Refractivity
101.0948
Polarizability
39.9749
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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