Molecule

ID:37946

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃
Molecular Mass
217.31006
Exact Mass
217.15789762
Charge
0
InChI
InChI=1S/C13H19N3/c14-12-7-15-16(8-12)13-4-9-1-10(5-13)3-11(2-9)6-13/h7-11H,1-6,14H2
InChIKey
KHRIZXQKNHEDSM-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
n1(C23CC4CC(C3)CC(C2)C4)ncc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6635523
LogD (pH = 7.4)
1.6635859
Log P
1.6635864
Molar Refractivity
75.2786
Polarizability
24.419554
Polar Surface Area
43.84
Rotatable Bonds
1
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
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References
Bioactivity
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