Molecule

ID:54337

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNOS
Molecular Mass
177.65182
Exact Mass
177.00151256
Charge
0
InChI
InChI=1S/C6H7NOS.ClH/c1-8-6(7)5-3-2-4-9-5;/h2-4,7H,1H3;1H
InChIKey
OEUWBJFZEJDNAJ-UHFFFAOYSA-N
Canonic Smiles
COC(=N)c1cccs1.Cl
Isomeric Smiles
s1c(ccc1)C(=N)OC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6289313
LogD (pH = 7.4)
1.8651768
Log P
1.869199
Molar Refractivity
47.7141
Polarizability
14.097603
Polar Surface Area
33.08
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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