Molecule

ID:89463

General Information
Structure
Molecular Formula
C₁₂H₉NO₄S
Molecular Mass
263.26916
Exact Mass
263.02522877
Charge
0
InChI
InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
InChIKey
GKNMUCPEXSCGKC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1c(cccc1)[N+](=O)[O-])c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8680646
LogD (pH = 7.4)
2.8680646
Log P
2.8680646
Molar Refractivity
66.9149
Polarizability
26.272684
Polar Surface Area
79.96
Rotatable Bonds
3
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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