Molecule

ID:73495

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-12-7-5-11(6-8-12)13-9-10-17-14-3-1-2-4-15(14)18-13/h1-8,13,17-18H,9-10,16H2
InChIKey
RGZNZJMQRLSGCW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1CCNc2c(N1)cccc2
Isomeric Smiles
N1c2ccccc2NCCC1c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
19.712513
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.5848099
LogD (pH = 7.4)
1.759957
Log P
1.7625511
Molar Refractivity
78.3252
Polarizability
28.161114
Polar Surface Area
50.08
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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