Molecule
ID:124304
General Information
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-11-14(12(2)17(3)16-11)10-15-9-13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3
InChIKey
ZZPHNCAAIZIMOY-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1CNCc1ccccc1)C)C
Isomeric Smiles
c1(c(n(nc1C)C)C)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8732977
LogD (pH = 7.4)
0.7542626
Log P
2.0148592
Molar Refractivity
82.5632
Polarizability
27.241497
Polar Surface Area
29.85
Rotatable Bonds
4
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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