Molecule

ID:40965

General Information
Structure
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-14(2,12-15)17-10-8-16(9-11-17)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKey
XDVABEIORUOHPE-UHFFFAOYSA-N
Canonic Smiles
N#CC(N1CCN(CC1)c1ccccc1)(C)C
Isomeric Smiles
N1(C(C#N)(C)C)CCN(CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3761106
LogD (pH = 7.4)
2.464618
Log P
2.4658716
Molar Refractivity
70.8078
Polarizability
26.853533
Polar Surface Area
30.27
Rotatable Bonds
2
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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