Molecule

ID:44406

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₅O₂
Molecular Mass
289.33296
Exact Mass
289.15387487
Charge
0
InChI
InChI=1S/C14H19N5O2/c1-14(2,3)21-13(20)19-8-6-18(7-9-19)12-16-5-4-11(10-15)17-12/h4-5H,6-9H2,1-3H3
InChIKey
AAUXQCMFMNQGDG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1cnc(nc1C#N)N1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8257762
LogD (pH = 7.4)
1.8257766
Log P
1.8257766
Molar Refractivity
78.197
Polarizability
29.313025
Polar Surface Area
82.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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