Molecule

ID:85911

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O₃S
Molecular Mass
248.68666
Exact Mass
248.00224084
Charge
0
InChI
InChI=1S/C8H9ClN2O3S/c9-6-8(10)11-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChIKey
VUSRTTNAPXGTCE-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OS(=O)(=O)c1ccccc1)/N
Isomeric Smiles
S(=O)(=O)(c1ccccc1)O/N=C(\N)/CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3261343
LogD (pH = 7.4)
1.3261595
Log P
1.3261598
Molar Refractivity
56.0644
Polarizability
22.655586
Polar Surface Area
81.75
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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