Molecule

ID:81051

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₃O₂
Molecular Mass
323.38894
Exact Mass
323.16337693
Charge
0
InChI
InChI=1S/C19H21N3O2/c1-11-12(2)14(4)17(15(5)13(11)3)10-24-19(23)16-8-6-7-9-18(16)21-22-20/h6-9H,10H2,1-5H3
InChIKey
AQZHCBQFFNTPOP-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Nc1ccccc1C(=O)OCc1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
[N+](=[N-])=Nc1ccccc1C(=O)OCc1c(c(c(c(c1C)C)C)C)C
Calculated Properties
JChem
Acid pKa
4.2034707
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
8.159976
LogD (pH = 7.4)
8.180554
Log P
6.585826
Molar Refractivity
118.2622
Polarizability
35.38885
Polar Surface Area
63.68
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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