Molecule

ID:128425

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O₃
Molecular Mass
337.37246
Exact Mass
337.14264148
Charge
0
InChI
InChI=1S/C19H19N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-10,15-17H,11H2,1-2H3
InChIKey
DOWJYXHCYHWQSI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CC2ON=C(C2C(=O)N1C)c1ccncc1
Isomeric Smiles
COc1ccc(cc1)C1CC2C(C(=O)N1C)C(=NO2)c1ccncc1
Calculated Properties
JChem
Acid pKa
11.156995
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.5790939
LogD (pH = 7.4)
1.5886616
Log P
1.5888623
Molar Refractivity
91.9681
Polarizability
35.59415
Polar Surface Area
64.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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