Molecule

ID:84377

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂S₃
Molecular Mass
339.32738
Exact Mass
337.95396675
Charge
0
InChI
InChI=1S/C11H12Cl2N2S3/c12-9-5-8(6-10(13)14-9)7-18-11(16)15-1-3-17-4-2-15/h5-6H,1-4,7H2
InChIKey
XSIRPWZUKQIGTR-UHFFFAOYSA-N
Canonic Smiles
S=C(N1CCSCC1)SCc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)CSC(=S)N1CCSCC1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.093479
LogD (pH = 7.4)
4.093479
Log P
4.093479
Molar Refractivity
89.7667
Polarizability
34.350983
Polar Surface Area
16.13
Rotatable Bonds
3
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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