Molecule

ID:88841

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClNO₂S
Molecular Mass
163.58218
Exact Mass
162.94947699
Charge
0
InChI
InChI=1S/C4H2ClNO2S/c5-4-3(6(7)8)1-2-9-4/h1-2H
InChIKey
OFPRGOSJWUNETN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccsc1Cl
Isomeric Smiles
s1c(c(cc1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4637127
LogD (pH = 7.4)
2.4637127
Log P
2.4637127
Molar Refractivity
33.449
Polarizability
13.064398
Polar Surface Area
43.14
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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