Molecule

ID:14188

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃
Molecular Mass
237.2997
Exact Mass
237.1265975
Charge
0
InChI
InChI=1S/C15H15N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKey
VMAWGHMRIQOEOC-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CNc2ccccc2)nc2c1cccc2
Isomeric Smiles
c12c(n(c(n1)CNc1ccccc1)C)cccc2
Calculated Properties
JChem
Acid pKa
18.741716
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.658055
LogD (pH = 7.4)
2.752242
Log P
2.7535977
Molar Refractivity
73.9986
Polarizability
29.059439
Polar Surface Area
29.85
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
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Molecule Details
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References
Bioactivity
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