Molecule

ID:81596

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂S
Molecular Mass
267.7313
Exact Mass
267.01207725
Charge
0
InChI
InChI=1S/C12H10ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKey
MELGGDOYSMRBGA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1N)c1ccc(cc1)Cl
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)Cl)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9586544
LogD (pH = 7.4)
3.9586544
Log P
3.9586544
Molar Refractivity
69.3987
Polarizability
27.364607
Polar Surface Area
52.32
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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