Molecule

ID:83198

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClNO₂PS₂
Molecular Mass
377.889501
Exact Mass
377.04398523
Charge
0
InChI
InChI=1S/C15H21ClNO2PS2/c1-5-19-20(18,17-10(2)3)21-9-15-11(4)13-8-12(16)6-7-14(13)22-15/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKey
GJFKZIYHZBKZEB-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(NC(C)C)SCc1sc2c(c1C)cc(cc2)Cl
Isomeric Smiles
s1c(c(c2cc(ccc12)Cl)C)CSP(=O)(NC(C)C)OCC
Calculated Properties
JChem
Acid pKa
14.234115
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.860156
LogD (pH = 7.4)
4.860156
Log P
4.860156
Molar Refractivity
98.1567
Polarizability
39.394043
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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