Molecule
ID:82257
General Information
Molecular Formula
C₂₀H₂₈ClP
Molecular Mass
334.863081
Exact Mass
334.16171521
Charge
0
InChI
InChI=1S/C20H28P.ClH/c1-14-15(2)17(4)20(18(5)16(14)3)13-21(6,7)19-11-9-8-10-12-19;/h8-12H,13H2,1-7H3;1H/q+1;/p-1
InChIKey
UHDVCAIUISMNLP-UHFFFAOYSA-M
Canonic Smiles
Cc1c(C[P+](c2ccccc2)(C)C)c(C)c(c(c1C)C)C.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(Cc1c(c(c(c(c1C)C)C)C)C)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.226122
LogD (pH = 7.4)
6.226122
Log P
6.226122
Molar Refractivity
97.1894
Polarizability
37.390232
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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