Molecule

ID:28151

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃
Molecular Mass
237.2997
Exact Mass
237.1265975
Charge
0
InChI
InChI=1S/C15H15N3/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15/h1-9,12H,10,16H2,(H,17,18)
InChIKey
XUKFUDAFEGNTRD-UHFFFAOYSA-N
Canonic Smiles
NC(c1nc2c([nH]1)cccc2)Cc1ccccc1
Isomeric Smiles
c1(nc2c([nH]1)cccc2)C(Cc1ccccc1)N
Calculated Properties
JChem
Acid pKa
11.403517
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.06340783
LogD (pH = 7.4)
1.7091526
Log P
2.6835296
Molar Refractivity
71.8818
Polarizability
29.471188
Polar Surface Area
54.7
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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