Molecule

ID:126942

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClNO₄PS₂
Molecular Mass
393.845841
Exact Mass
393.00251434
Charge
0
InChI
InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3
InChIKey
MUMQYXACQUZOFP-UHFFFAOYSA-N
Canonic Smiles
ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC
Isomeric Smiles
ClCC(SP(=S)(OCC)OCC)N1C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8197966
LogD (pH = 7.4)
3.8197966
Log P
3.8197966
Molar Refractivity
98.447
Polarizability
38.25931
Polar Surface Area
55.84
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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