Molecule

ID:26982

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClN₂OS
Molecular Mass
276.74136
Exact Mass
276.0124116
Charge
0
InChI
InChI=1S/C13H9ClN2OS/c14-7-10-6-12(17)16-11(8-18-13(16)15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey
HWABSWUKDMJGDF-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)scc2c1ccccc1
Isomeric Smiles
n12c(nc(cc1=O)CCl)scc2c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6948729
LogD (pH = 7.4)
2.6948729
Log P
2.6948729
Molar Refractivity
75.9122
Polarizability
28.201042
Polar Surface Area
32.67
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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