Molecule

ID:58606

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₃
Molecular Mass
289.32966
Exact Mass
289.14264148
Charge
0
InChI
InChI=1S/C15H19N3O3/c1-5-21-15(19)14-13(16-9-18(2)3)11-8-10(20-4)6-7-12(11)17-14/h6-9,17H,5H2,1-4H3/b16-9+
InChIKey
IMGGVJCJRUVVRX-CXUHLZMHSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1/N=C/N(C)C)cc(cc2)OC
Isomeric Smiles
c1(c([nH]c2c1cc(cc2)OC)C(=O)OCC)/N=C/N(C)C
Calculated Properties
JChem
Acid pKa
10.230169
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.13083634
LogD (pH = 7.4)
1.2716651
Log P
1.8009005
Molar Refractivity
83.1135
Polarizability
31.691692
Polar Surface Area
66.92
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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