Molecule

ID:113962

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNOS
Molecular Mass
199.65734
Exact Mass
198.9858625
Charge
0
InChI
InChI=1S/C8H6ClNOS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChIKey
UUERHMFUYYXLRE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nc(s2)Cl
Isomeric Smiles
n1c(sc2c1cc(cc2)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8698087
LogD (pH = 7.4)
2.8698146
Log P
2.8698149
Molar Refractivity
48.6178
Polarizability
20.130112
Polar Surface Area
22.12
Rotatable Bonds
1
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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