Molecule
ID:119412
General Information
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c1-5-20-15(18)14-12(9-17(2)3)11-8-10(19-4)6-7-13(11)16-14/h6-8,16H,5,9H2,1-4H3
InChIKey
QLIOOHNAOUXZGF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1CN(C)C)cc(cc2)OC
Isomeric Smiles
c1(c([nH]c2c1cc(cc2)OC)C(=O)OCC)CN(C)C
Calculated Properties
JChem
Acid pKa
11.176475
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4952459
LogD (pH = 7.4)
1.2788109
Log P
2.1360195
Molar Refractivity
78.8018
Polarizability
31.36982
Polar Surface Area
54.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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