Molecule

ID:63889

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClNO₃PS
Molecular Mass
269.685481
Exact Mass
269.00422859
Charge
0
InChI
InChI=1S/C8H13ClNO3PS/c1-3-12-14(11,13-4-2)6-7-5-10-8(9)15-7/h5H,3-4,6H2,1-2H3
InChIKey
LPAZMLMRYFXTQX-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cnc(s1)Cl)OCC
Isomeric Smiles
P(=O)(Cc1sc(nc1)Cl)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0164926
LogD (pH = 7.4)
2.016496
Log P
2.016496
Molar Refractivity
60.3946
Polarizability
24.166618
Polar Surface Area
48.42
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
No Data Available
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Molecule Details
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References
Bioactivity
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