Molecule

ID:59504

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNOS
Molecular Mass
177.65182
Exact Mass
177.00151256
Charge
0
InChI
InChI=1S/C6H8ClNOS/c1-2-9-6-8-4-5(3-7)10-6/h4H,2-3H2,1H3
InChIKey
KNYAYSXEFVSKQX-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncc(s1)CCl
Isomeric Smiles
c1(ncc(s1)CCl)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2351053
LogD (pH = 7.4)
2.2351067
Log P
2.2351067
Molar Refractivity
41.6025
Polarizability
16.239208
Polar Surface Area
22.12
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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