Molecule

ID:96310

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFO₃P
Molecular Mass
280.6601642
Exact Mass
280.04313687
Charge
0
InChI
InChI=1S/C11H15ClFO3P/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
OBPWUKXKPZQBNK-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1c(F)cccc1Cl)OCC
Isomeric Smiles
P(=O)(Cc1c(cccc1F)Cl)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0508516
LogD (pH = 7.4)
3.0508516
Log P
3.0508516
Molar Refractivity
65.3974
Polarizability
25.876165
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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