Molecule

ID:28435

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃
Molecular Mass
237.2997
Exact Mass
237.1265975
Charge
0
InChI
InChI=1S/C15H15N3/c1-4-13(14-6-8-18-15(14)5-1)11-17-10-12-3-2-7-16-9-12/h1-9,17-18H,10-11H2
InChIKey
RQKXFHJRRZKPEJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2CNCc1cnccc1
Calculated Properties
JChem
Acid pKa
16.341257
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.88501495
LogD (pH = 7.4)
0.6135643
Log P
2.1371574
Molar Refractivity
72.8482
Polarizability
29.53452
Polar Surface Area
40.71
Rotatable Bonds
4
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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