Molecule

ID:69494

General Information
Structure
MolImage
Molecular Formula
C₅H₃NO₃S
Molecular Mass
157.14722
Exact Mass
156.98336396
Charge
0
InChI
InChI=1S/C5H3NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey
CHTSWZNXEKOLPM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(s1)[N+](=O)[O-])C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7046098
LogD (pH = 7.4)
1.7046098
Log P
1.7046098
Molar Refractivity
35.0123
Polarizability
12.991923
Polar Surface Area
60.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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