Molecule
ID:84305
General Information
Molecular Formula
C₆H₄Cl₂N₂S
Molecular Mass
207.08036
Exact Mass
205.9472245
Charge
0
InChI
InChI=1S/C6H4Cl2N2S/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)
InChIKey
QZDZCVBAYMPTBM-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=S)N)Cl
Calculated Properties
JChem
Acid pKa
11.028157
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1445282
LogD (pH = 7.4)
2.1446183
Log P
2.144527
Molar Refractivity
52.7026
Polarizability
19.540337
Polar Surface Area
38.91
Rotatable Bonds
1
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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