Molecule

ID:64266

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₂S
Molecular Mass
177.60876
Exact Mass
176.96512705
Charge
0
InChI
InChI=1S/C5H4ClNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey
ITGAFIAWKUGNIJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(s1)Cl
Isomeric Smiles
c1(sc(nc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6819693
LogD (pH = 7.4)
1.6819693
Log P
1.6819693
Molar Refractivity
38.1017
Polarizability
14.757037
Polar Surface Area
39.19
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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