Molecule

ID:71440

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-12-9-8-10-6-4-5-7-11(10)16-13(12)18/h4-7,12H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
KMQMLZIXVMSMOI-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCc2c(NC1=O)cccc2
Isomeric Smiles
N1C(=O)C(NC(=O)OC(C)(C)C)CCc2c1cccc2
Calculated Properties
JChem
Acid pKa
12.953443
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4753373
LogD (pH = 7.4)
2.475336
Log P
2.4753373
Molar Refractivity
76.8096
Polarizability
29.2809
Polar Surface Area
67.43
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
No Data Available
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Molecule Details
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References
Bioactivity
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