Molecule

ID:80871

General Information
Structure
MolImage
Molecular Formula
C₃₃H₃₈ClP
Molecular Mass
501.081581
Exact Mass
500.23996553
Charge
0
InChI
InChI=1S/C33H38P.ClH/c1-22-9-15-30(16-10-22)34(31-17-11-23(2)12-18-31,32-19-13-24(3)14-20-32)21-33-28(7)26(5)25(4)27(6)29(33)8;/h9-20H,21H2,1-8H3;1H/q+1;/p-1
InChIKey
VKONICLMFRTICV-UHFFFAOYSA-M
Canonic Smiles
Cc1ccc(cc1)[P+](c1ccc(cc1)C)(c1ccc(cc1)C)Cc1c(C)c(C)c(c(c1C)C)C.[Cl-]
Isomeric Smiles
[P+](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)Cc1c(c(c(c(c1C)C)C)C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
18.829626
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.459635
LogD (pH = 7.4)
10.459635
Log P
10.459635
Molar Refractivity
152.1634
Polarizability
58.19535
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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