Molecule

ID:48583

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-10-12-7-8-15(17-11-12)18-9-3-5-13-4-1-2-6-14(13)18/h1-2,4,6-8,11H,3,5,9-10,16H2
InChIKey
IBLRITIODJQEPY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2ncc(cc2)CN)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3362312
LogD (pH = 7.4)
0.78967047
Log P
2.6238585
Molar Refractivity
73.9815
Polarizability
28.2698
Polar Surface Area
42.15
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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