Molecule
ID:121859
General Information
Molecular Formula
C₁₁H₆ClNO₂S₂
Molecular Mass
283.75384
Exact Mass
282.95284812
Charge
0
InChI
InChI=1S/C11H6ClNO2S2/c1-2-5-13-10(14)8(17-11(13)15)6-7-3-4-9(12)16-7/h1,3-4,6H,5H2/b8-6+
InChIKey
IJKLSHQUDALOKZ-SOFGYWHQSA-N
Canonic Smiles
Clc1ccc(s1)/C=C\1/SC(=O)N(C1=O)CC#C
Isomeric Smiles
N1(C(=O)S/C(=C/c2sc(cc2)Cl)/C1=O)CC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9846401
LogD (pH = 7.4)
2.9846401
Log P
2.9846401
Molar Refractivity
69.5525
Polarizability
26.29569
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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