Molecule

ID:57534

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₃S
Molecular Mass
328.38554
Exact Mass
328.08816338
Charge
0
InChI
InChI=1S/C17H16N2O3S/c1-4-21-16(20)15-11(3)19-17(23-15)22-13-7-5-6-12-9-8-10(2)18-14(12)13/h5-9H,4H2,1-3H3
InChIKey
SLHLLZIZHLBRLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)Oc1cccc2c1nc(C)cc2
Isomeric Smiles
O(c1c2nc(ccc2ccc1)C)c1nc(c(s1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7272985
LogD (pH = 7.4)
3.7296648
Log P
3.729695
Molar Refractivity
86.6428
Polarizability
34.871967
Polar Surface Area
61.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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