Molecule

ID:17809

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O₂S
Molecular Mass
208.66586
Exact Mass
208.00732622
Charge
0
InChI
InChI=1S/C6H9ClN2O2S/c1-3-9-5(2)6(4-8-9)12(7,10)11/h4H,3H2,1-2H3
InChIKey
WTCIDIPYELTAMF-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1C)S(=O)(=O)Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)c(n(nc1)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.90376914
LogD (pH = 7.4)
0.9037781
Log P
0.9037782
Molar Refractivity
59.0539
Polarizability
18.68566
Polar Surface Area
51.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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