Molecule

ID:134472

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClO₅P
Molecular Mass
292.652621
Exact Mass
292.02673786
Charge
0
InChI
InChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-4-9(12)6-11/h3-6H,7-8H2,1-2H3
InChIKey
ZNPUZMPUXAFKQZ-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CC(=O)COc1cccc(c1)Cl)OC
Isomeric Smiles
COP(=O)(CC(=O)COc1cccc(c1)Cl)OC
Calculated Properties
JChem
Acid pKa
15.368759
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9681451
LogD (pH = 7.4)
1.9681451
Log P
1.9681451
Molar Refractivity
66.9166
Polarizability
26.977915
Polar Surface Area
61.83
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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