Molecule

ID:22555

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₂S
Molecular Mass
220.67656
Exact Mass
220.00732622
Charge
0
InChI
InChI=1S/C7H9ClN2O2S/c1-13(11,12)5-2-3-7(10-9)6(8)4-5/h2-4,10H,9H2,1H3
InChIKey
CLPMRWGTVXDAAL-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1Cl)S(=O)(=O)C
Isomeric Smiles
N(N)c1c(cc(cc1)S(=O)(=O)C)Cl
Calculated Properties
JChem
Acid pKa
15.663545
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7715945
LogD (pH = 7.4)
0.8086644
Log P
0.80924165
Molar Refractivity
54.5731
Polarizability
20.822285
Polar Surface Area
72.19
Rotatable Bonds
2
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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