Molecule

ID:121557

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃S
Molecular Mass
189.66582
Exact Mass
189.01274595
Charge
0
InChI
InChI=1S/C6H8ClN3S/c7-5-6(9-11-8-5)10-3-1-2-4-10/h1-4H2
InChIKey
LQKNJGKYVMMIPY-UHFFFAOYSA-N
Canonic Smiles
Clc1nsnc1N1CCCC1
Isomeric Smiles
c1(c(nsn1)Cl)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2882168
LogD (pH = 7.4)
2.2882183
Log P
2.2882183
Molar Refractivity
48.9834
Polarizability
17.11452
Polar Surface Area
29.02
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
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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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