Molecule
ID:80770
General Information
Molecular Formula
C₃₀H₃₂ClP
Molecular Mass
459.001841
Exact Mass
458.19301533
Charge
0
InChI
InChI=1S/C30H32P.ClH/c1-22-23(2)25(4)30(26(5)24(22)3)21-31(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;/h6-20H,21H2,1-5H3;1H/q+1;/p-1
InChIKey
IROJSALZTSJLCX-UHFFFAOYSA-M
Canonic Smiles
Cc1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c(c(c1C)C)C.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c(c(c(c(c1C)C)C)C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
19.39662
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.919371
LogD (pH = 7.4)
8.919371
Log P
8.919371
Molar Refractivity
137.0398
Polarizability
52.897087
Polar Surface Area
0.0
Rotatable Bonds
5
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
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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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