Molecule

ID:118849

General Information
Structure
MolImage
Molecular Formula
C₃₃H₃₈P+
Molecular Mass
465.628581
Exact Mass
465.27111285
Charge
1
InChI
InChI=1S/C33H38P/c1-2-3-4-5-6-10-17-29-24-26-30(27-25-29)28-34(31-18-11-7-12-19-31,32-20-13-8-14-21-32)33-22-15-9-16-23-33/h7-9,11-16,18-27H,2-6,10,17,28H2,1H3/q+1
InChIKey
XIZGKIHZYWWFDL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
[P+](Cc1ccc(cc1)CCCCCCCC)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.587059
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.977666
LogD (pH = 7.4)
9.977666
Log P
9.977666
Molar Refractivity
149.082
Polarizability
58.766357
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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