Molecule

ID:54393

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂S
Molecular Mass
272.32228
Exact Mass
272.06194863
Charge
0
InChI
InChI=1S/C14H12N2O2S/c1-16-13-10(8-11(19-13)14(17)18-2)12(15-16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
WMNAUDIZVVPCMT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(s1)n(nc2c1ccccc1)C
Isomeric Smiles
c12c(n(nc1c1ccccc1)C)sc(c2)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7247143
LogD (pH = 7.4)
3.7247212
Log P
3.7247212
Molar Refractivity
83.893
Polarizability
29.79175
Polar Surface Area
44.12
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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