Molecule

ID:44108

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃S
Molecular Mass
300.33238
Exact Mass
300.05686325
Charge
0
InChI
InChI=1S/C15H12N2O3S/c1-19-15(18)11-3-5-12(6-4-11)20-9-10-2-7-13-14(8-10)17-21-16-13/h2-8H,9H2,1H3
InChIKey
PIQFQUMKPPAICL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)COc1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6871536
LogD (pH = 7.4)
3.6871536
Log P
3.6871536
Molar Refractivity
79.6415
Polarizability
31.320839
Polar Surface Area
61.31
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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