Molecule

ID:80957

General Information
Structure
Molecular Formula
C₂₁H₃₈ClP
Molecular Mass
356.953181
Exact Mass
356.23996553
Charge
0
InChI
InChI=1S/C21H38P.ClH/c1-9-12-22(13-10-2,14-11-3)15-21-19(7)17(5)16(4)18(6)20(21)8;/h9-15H2,1-8H3;1H/q+1;/p-1
InChIKey
SPQPBYXKWFHRGO-UHFFFAOYSA-M
Canonic Smiles
CCC[P+](Cc1c(C)c(C)c(c(c1C)C)C)(CCC)CCC.[Cl-]
Isomeric Smiles
[P+](Cc1c(c(c(c(c1C)C)C)C)C)(CCC)(CCC)CCC.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.2061543
LogD (pH = 7.4)
7.2061543
Log P
7.2061543
Molar Refractivity
105.2296
Polarizability
40.730415
Polar Surface Area
0.0
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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