Molecule
ID:122532
General Information
Molecular Formula
C₁₉H₁₉N₃O₂
Molecular Mass
321.37306
Exact Mass
321.14772686
Charge
0
InChI
InChI=1S/C19H19N3O2/c20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(23)18-13-14-3-1-2-4-17(14)24-18/h1-8,13H,9-12,20H2
InChIKey
JUCKYURFCJJQEK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1(C(=O)N2CCN(c3ccc(N)cc3)CC2)oc2c(c1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7800583
LogD (pH = 7.4)
2.2486951
Log P
2.2596767
Molar Refractivity
94.8974
Polarizability
36.061993
Polar Surface Area
62.71
Rotatable Bonds
2
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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