Molecule

ID:74953

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅Cl₃NO₅P
Molecular Mass
342.541161
Exact Mass
340.97534226
Charge
0
InChI
InChI=1S/C8H15Cl3NO5P/c1-3-16-18(14,17-4-2)6-12-7(13)15-5-8(9,10)11/h3-6H2,1-2H3,(H,12,13)
InChIKey
DNMXZUIYWOZELB-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(CNC(=O)OCC(Cl)(Cl)Cl)OCC
Isomeric Smiles
P(=O)(CNC(=O)OCC(Cl)(Cl)Cl)(OCC)OCC
Calculated Properties
JChem
Acid pKa
10.417813
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.143076
LogD (pH = 7.4)
2.1427
Log P
2.1430807
Molar Refractivity
69.9792
Polarizability
28.049942
Polar Surface Area
73.86
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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