Molecule

ID:123637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₃S
Molecular Mass
272.70806
Exact Mass
272.00224084
Charge
0
InChI
InChI=1S/C10H9ClN2O3S/c1-16-9-4-3-8(13-6-2-5-12-13)7-10(9)17(11,14)15/h2-7H,1H3
InChIKey
KUDGOSQVGJNNQS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)Cl)n1cccn1
Isomeric Smiles
S(=O)(=O)(c1cc(n2nccc2)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.847639
LogD (pH = 7.4)
1.8476954
Log P
1.8476961
Molar Refractivity
65.0771
Polarizability
26.011341
Polar Surface Area
61.19
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
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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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