Molecule

ID:27244

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O₂
Molecular Mass
321.37306
Exact Mass
321.14772686
Charge
0
InChI
InChI=1S/C19H19N3O2/c1-12(2)24-14-9-7-13(8-10-14)18-11-16(19(23)22-20)15-5-3-4-6-17(15)21-18/h3-12H,20H2,1-2H3,(H,22,23)
InChIKey
FKUIWNXYLIOBBD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OC(C)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(OC(C)C)cc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.741158
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.3328965
LogD (pH = 7.4)
3.3338404
Log P
3.3338525
Molar Refractivity
93.9366
Polarizability
38.42051
Polar Surface Area
77.24
Rotatable Bonds
4
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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