Molecule

ID:78930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₃S
Molecular Mass
249.24588
Exact Mass
249.0208121
Charge
0
InChI
InChI=1S/C10H7N3O3S/c14-12-7-2-1-5-9(12)17-10-8(13(15)16)4-3-6-11-10/h1-7H
InChIKey
ZIRKXGMRHFYXSD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1Sc1cccc[n+]1[O-]
Isomeric Smiles
[N+](=O)(c1cccnc1Sc1[n+](cccc1)[O-])[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6078128
LogD (pH = 7.4)
1.6078132
Log P
1.6078132
Molar Refractivity
64.9778
Polarizability
23.597195
Polar Surface Area
84.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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