Molecule

ID:86040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₄S
Molecular Mass
264.25722
Exact Mass
264.02047775
Charge
0
InChI
InChI=1S/C11H8N2O4S/c1-7-11(13(15)16)9(17-12-7)2-3-10-8(6-14)4-5-18-10/h2-6H,1H3
InChIKey
KYRCXZPKWWRATC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccsc1/C=C/c1onc(c1[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1c(onc1C)/C=C/c1c(ccs1)C=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.294371
LogD (pH = 7.4)
2.2943714
Log P
2.2943714
Molar Refractivity
68.2224
Polarizability
23.857944
Polar Surface Area
88.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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