Molecule

ID:78865

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂S
Molecular Mass
266.70348
Exact Mass
265.99167615
Charge
0
InChI
InChI=1S/C11H7ClN2O2S/c12-8-3-5-9(6-4-8)17-11-10(14(15)16)2-1-7-13-11/h1-7H
InChIKey
ANCQATHISNEWKS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Sc1ncccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cccnc1Sc1ccc(cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.082809
LogD (pH = 7.4)
4.0828094
Log P
4.0828094
Molar Refractivity
69.0282
Polarizability
25.84459
Polar Surface Area
58.71
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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