Molecule

ID:85373

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂O₃P
Molecular Mass
297.114761
Exact Mass
296.01358633
Charge
0
InChI
InChI=1S/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChIKey
WMVJGOZIAJRFLQ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1c(Cl)cccc1Cl)OCC
Isomeric Smiles
P(=O)(Cc1c(cccc1Cl)Cl)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.468069
LogD (pH = 7.4)
3.468069
Log P
3.468069
Molar Refractivity
69.9858
Polarizability
28.047298
Polar Surface Area
35.53
Rotatable Bonds
6
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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