Molecule

ID:25167

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-9-6-12-13(7-10(9)2)17-14(16-12)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKey
AYHHVJWESHJEPI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2[nH]c(nc2cc1C)C1CCCNC1
Isomeric Smiles
c1(nc2c([nH]1)cc(c(c2)C)C)C1CNCCC1
Calculated Properties
JChem
Acid pKa
12.758387
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.143194
LogD (pH = 7.4)
0.4131032
Log P
2.668897
Molar Refractivity
69.7692
Polarizability
28.14969
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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