Molecule

ID:25165

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-9-5-6-12-13(10(9)2)17-14(16-12)11-4-3-7-15-8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey
FWXGQVNJZSMBEX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C)[nH]c(n2)C1CCCNC1
Isomeric Smiles
c1([nH]c2c(n1)ccc(c2C)C)C1CNCCC1
Calculated Properties
JChem
Acid pKa
12.843777
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2293969
LogD (pH = 7.4)
0.39539698
Log P
2.668897
Molar Refractivity
69.7692
Polarizability
28.15089
Polar Surface Area
40.71
Rotatable Bonds
1
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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