Molecule

ID:83244

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂N₃OS₂
Molecular Mass
374.30852
Exact Mass
372.98770941
Charge
0
InChI
InChI=1S/C14H13Cl2N3OS2/c15-10-4-2-1-3-9(10)12-11(13(16)18-22-12)17-14(20)19-5-7-21-8-6-19/h1-4H,5-8H2,(H,17,20)
InChIKey
GTMFZDOKBVYBDK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCSCC1)Nc1c(Cl)nsc1c1ccccc1Cl
Isomeric Smiles
s1c(c(NC(=O)N2CCSCC2)c(n1)Cl)c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
10.384487
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7277272
LogD (pH = 7.4)
3.7273057
Log P
3.727733
Molar Refractivity
96.2834
Polarizability
36.829468
Polar Surface Area
45.23
Rotatable Bonds
2
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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