Molecule

ID:59501

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNOS
Molecular Mass
163.62524
Exact Mass
162.9858625
Charge
0
InChI
InChI=1S/C5H6ClNOS/c1-8-5-7-3-4(2-6)9-5/h3H,2H2,1H3
InChIKey
YVJUOUDIJOEFPU-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(s1)CCl
Isomeric Smiles
c1(ncc(s1)CCl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8782972
LogD (pH = 7.4)
1.8782989
Log P
1.8782989
Molar Refractivity
36.8539
Polarizability
14.424065
Polar Surface Area
22.12
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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