Molecule

ID:41795

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClN₃O₂S
Molecular Mass
203.60628
Exact Mass
202.955625
Charge
0
InChI
InChI=1S/C5H2ClN3O2S/c6-3-4(9(10)11)8-1-2-12-5(8)7-3/h1-2H
InChIKey
VLASBESFPINWKH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)nc2n1ccs2
Isomeric Smiles
c1(n2c(nc1Cl)scc2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6291
LogD (pH = 7.4)
1.6291
Log P
1.6291
Molar Refractivity
55.9565
Polarizability
16.148775
Polar Surface Area
63.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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