Molecule

ID:8515

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₂S
Molecular Mass
129.13712
Exact Mass
128.98844934
Charge
0
InChI
InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey
JIZRGGUCOQKGQD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccs1
Isomeric Smiles
c1ccsc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8596679
LogD (pH = 7.4)
1.8596679
Log P
1.8596679
Molar Refractivity
28.6442
Polarizability
11.008229
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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