Molecule

ID:64263

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O₂S
Molecular Mass
232.68726
Exact Mass
232.00732622
Charge
0
InChI
InChI=1S/C8H9ClN2O2S/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11/h5H,1-4H2
InChIKey
PXXGEJVHSHQARO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Cl)N1CCOCC1
Isomeric Smiles
n1c(sc(c1Cl)C=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8749954
LogD (pH = 7.4)
1.8749956
Log P
1.8749956
Molar Refractivity
56.477
Polarizability
20.61993
Polar Surface Area
42.43
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
References
Bioactivity
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