Molecule

ID:82781

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClN₃O₂S
Molecular Mass
215.61698
Exact Mass
214.955625
Charge
0
InChI
InChI=1S/C6H2ClN3O2S/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H
InChIKey
MSDMEVQEACHYNS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)ccc2c1nsn2
Isomeric Smiles
[N+](=O)(c1c(ccc2nsnc12)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6609037
LogD (pH = 7.4)
2.6609037
Log P
2.6609037
Molar Refractivity
48.6699
Polarizability
18.724676
Polar Surface Area
71.6
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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