Molecule

ID:35266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃S
Molecular Mass
300.33238
Exact Mass
300.05686325
Charge
0
InChI
InChI=1S/C15H12N2O3S/c1-2-20-14(19)12-9-21-15-16-13(11(8-18)17(12)15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
OUMJASWUOHDNRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc2n1c(C=O)c(n2)c1ccccc1
Isomeric Smiles
n12c(nc(c1C=O)c1ccccc1)scc2C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6215672
LogD (pH = 7.4)
2.6215997
Log P
2.6216
Molar Refractivity
91.3895
Polarizability
31.111416
Polar Surface Area
60.67
Rotatable Bonds
5
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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