Molecule

ID:83237

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₂NOS₂
Molecular Mass
366.28476
Exact Mass
364.95026127
Charge
0
InChI
InChI=1S/C16H9Cl2NOS2/c17-12-9-5-4-8-11(12)14-13(15(18)19-22-14)16(20)21-10-6-2-1-3-7-10/h1-9H
InChIKey
KVSKUAPMFVTZTA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(Cl)nsc1c1ccccc1Cl)Sc1ccccc1
Isomeric Smiles
s1c(c(C(=O)Sc2ccccc2)c(n1)Cl)c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1510468
LogD (pH = 7.4)
6.151047
Log P
6.151047
Molar Refractivity
95.8364
Polarizability
37.474457
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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