Molecule

ID:74865

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄ClO₃P
Molecular Mass
426.872321
Exact Mass
426.11515894
Charge
0
InChI
InChI=1S/C24H24O3P.ClH/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1
InChIKey
BRRCLIKFZISBBV-UHFFFAOYSA-M
Canonic Smiles
CCOC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC(=O)CC(=O)OCC.[Cl-]
Calculated Properties
JChem
Acid pKa
10.376254
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6227684
LogD (pH = 7.4)
4.6223164
Log P
4.622774
Molar Refractivity
112.8171
Polarizability
44.367207
Polar Surface Area
43.37
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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