Molecule

ID:79264

General Information
Structure
Molecular Formula
C₃H₂Cl₃N₃S
Molecular Mass
218.49208
Exact Mass
216.90350112
Charge
0
InChI
InChI=1S/C3H2Cl3N3S/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9)
InChIKey
QYNMMVVOSGGXPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(N)snc1C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
14.073447
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3079932
LogD (pH = 7.4)
2.3079963
Log P
2.3079963
Molar Refractivity
45.3924
Polarizability
16.191362
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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