Molecule
ID:84037
General Information
Molecular Formula
C₈H₃Cl₂NOS
Molecular Mass
232.08652
Exact Mass
230.93124008
Charge
0
InChI
InChI=1S/C8H3Cl2NOS/c9-5-1-2-6(7(10)3-5)8(12)11-4-13/h1-3H
InChIKey
ZJZCYTFTHXQBBS-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
N(=C=S)C(=O)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4447427
LogD (pH = 7.4)
3.4447427
Log P
3.4447427
Molar Refractivity
56.0784
Polarizability
21.744043
Polar Surface Area
29.43
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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