Molecule

ID:115309

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₄S
Molecular Mass
274.68088
Exact Mass
273.98150539
Charge
0
InChI
InChI=1S/C9H7ClN2O4S/c10-17(15,16)5-4-12-8(13)6-2-1-3-11-7(6)9(12)14/h1-3H,4-5H2
InChIKey
WWWPTUMPRZHAMT-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ncccc2C(=O)N1CCS(=O)(=O)Cl
Isomeric Smiles
N1(C(=O)c2c(C1=O)nccc2)CCS(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.12903659
LogD (pH = 7.4)
-0.129036
Log P
-0.12903598
Molar Refractivity
59.9406
Polarizability
23.278593
Polar Surface Area
84.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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