Molecule

ID:28456

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃
Molecular Mass
237.2997
Exact Mass
237.1265975
Charge
0
InChI
InChI=1S/C15H15N3/c1-2-13(10-16-6-1)11-17-9-12-3-4-14-5-7-18-15(14)8-12/h1-8,10,17-18H,9,11H2
InChIKey
RXEGXMJUXHXGBP-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNCc1cnccc1
Calculated Properties
JChem
Acid pKa
16.34722
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.78577775
LogD (pH = 7.4)
0.81777894
Log P
2.1371574
Molar Refractivity
72.8482
Polarizability
29.533737
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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