Molecule

ID:79824

General Information
Structure
MolImage
Molecular Formula
C₃₃H₃₆ClO₅P
Molecular Mass
579.062701
Exact Mass
578.19888856
Charge
0
InChI
InChI=1S/C33H36O5P.ClH/c1-4-10-29(11-5-1)39(30-12-6-2-7-13-30,31-14-8-3-9-15-31)27-28-16-17-32-33(26-28)38-25-23-36-21-19-34-18-20-35-22-24-37-32;/h1-17,26H,18-25,27H2;1H/q+1;/p-1
InChIKey
FEMPVIGGQYUWRH-UHFFFAOYSA-M
Canonic Smiles
C1OCCOCCOCCOc2c(OC1)cc(cc2)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc2c(c1)OCCOCCOCCOCCO2.[Cl-]
Calculated Properties
JChem
Acid pKa
14.776256
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.72447
LogD (pH = 7.4)
5.72447
Log P
5.72447
Molar Refractivity
155.9217
Polarizability
61.341557
Polar Surface Area
46.15
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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