Molecule

ID:84286

General Information
Structure
Molecular Formula
C₁₀H₁₀Cl₂N₂O₃S
Molecular Mass
309.169
Exact Mass
307.97891855
Charge
0
InChI
InChI=1S/C10H10Cl2N2O3S/c1-2-17-9(15)5-18-10(16)13-6-3-7(11)14-8(12)4-6/h3-4H,2,5H2,1H3,(H,13,14,16)
InChIKey
CFTUIPLOIHWPNO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSC(=O)Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)SCC(=O)OCC)Cl
Calculated Properties
JChem
Acid pKa
14.145724
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6849995
LogD (pH = 7.4)
2.6849995
Log P
2.6849995
Molar Refractivity
74.1655
Polarizability
27.76964
Polar Surface Area
68.29
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
No Data Available
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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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