Molecule

ID:108079

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃O₂
Molecular Mass
297.35166
Exact Mass
297.14772686
Charge
0
InChI
InChI=1S/C17H19N3O2/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKey
HBRCDTRQDHMTDA-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)CC
Isomeric Smiles
CCN(CC)c1ccc(cc1)/N=N/c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.32453
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.7231066
LogD (pH = 7.4)
1.4518449
Log P
3.586778
Molar Refractivity
91.559
Polarizability
32.391163
Polar Surface Area
65.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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