Molecule

ID:74874

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀ClO₂P
Molecular Mass
370.809061
Exact Mass
370.08894419
Charge
0
InChI
InChI=1S/C21H20O2P.ClH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKey
CXCXTEMZMJZMJX-UHFFFAOYSA-M
Canonic Smiles
COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC(=O)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
19.026976
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.044112
LogD (pH = 7.4)
4.044112
Log P
4.044112
Molar Refractivity
98.1733
Polarizability
38.78681
Polar Surface Area
26.3
Rotatable Bonds
6
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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