Molecule

ID:80857

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₉Cl₄P
Molecular Mass
562.337021
Exact Mass
560.07609828
Charge
0
InChI
InChI=1S/C30H29Cl3P.ClH/c1-19-20(2)22(4)30(23(5)21(19)3)18-34(27-12-6-24(31)7-13-27,28-14-8-25(32)9-15-28)29-16-10-26(33)11-17-29;/h6-17H,18H2,1-5H3;1H/q+1;/p-1
InChIKey
VABOBKHMRXPXFB-UHFFFAOYSA-M
Canonic Smiles
Clc1ccc(cc1)[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)Cc1c(C)c(C)c(c(c1C)C)C.[Cl-]
Isomeric Smiles
[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)Cc1c(c(c(c(c1C)C)C)C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
15.346782
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.731505
LogD (pH = 7.4)
10.731505
Log P
10.731505
Molar Refractivity
151.4542
Polarizability
58.365448
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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