Molecule

ID:83205

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClNO₂PS₂
Molecular Mass
363.862921
Exact Mass
363.02833516
Charge
0
InChI
InChI=1S/C14H19ClNO2PS2/c1-4-18-19(17,16-10(2)3)20-9-12-11-7-5-6-8-13(11)21-14(12)15/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKey
PSFQIWLQWOFLJE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(NC(C)C)SCc1c(Cl)sc2c1cccc2
Isomeric Smiles
s1c(c(c2c1cccc2)CSP(=O)(NC(C)C)OCC)Cl
Calculated Properties
JChem
Acid pKa
14.026552
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3802915
LogD (pH = 7.4)
4.3802915
Log P
4.3802915
Molar Refractivity
92.3809
Polarizability
37.699444
Polar Surface Area
38.33
Rotatable Bonds
7
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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