Molecule

ID:85293

General Information
Structure
MolImage
Molecular Formula
C₃₃H₂₆ClP
Molecular Mass
488.986301
Exact Mass
488.14606514
Charge
0
InChI
InChI=1S/C33H26P.ClH/c1-4-15-28(16-5-1)34(29-17-6-2-7-18-29,30-19-8-3-9-20-30)25-27-24-26-14-10-11-21-31(26)33-23-13-12-22-32(27)33;/h1-24H,25H2;1H/q+1;/p-1
InChIKey
FYBRVNGSRANOBX-UHFFFAOYSA-M
Canonic Smiles
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1cc2ccccc2c2c1cccc2.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c2c(c3c(c1)cccc3)cccc2.[Cl-]
Calculated Properties
JChem
Acid pKa
19.115385
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.331218
LogD (pH = 7.4)
8.331218
Log P
8.331218
Molar Refractivity
144.7342
Polarizability
59.356075
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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