Molecule

ID:81387

General Information
Structure
MolImage
Molecular Formula
C₅H₃NO₃S
Molecular Mass
157.14722
Exact Mass
156.98336396
Charge
0
InChI
InChI=1S/C5H3NO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3H
InChIKey
JYVNBTUBCTXNBI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cs1)C=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5721703
LogD (pH = 7.4)
1.5721703
Log P
1.5721703
Molar Refractivity
35.2282
Polarizability
12.988509
Polar Surface Area
60.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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