Molecule

ID:81342

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₂BrP
Molecular Mass
385.277141
Exact Mass
384.06424933
Charge
0
InChI
InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
InChIKey
XMQSELBBYSAURN-UHFFFAOYSA-M
Canonic Smiles
CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.507121
LogD (pH = 7.4)
5.507121
Log P
5.507121
Molar Refractivity
96.4938
Polarizability
38.127934
Polar Surface Area
0.0
Rotatable Bonds
5
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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