Molecule

ID:48333

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₃
Molecular Mass
213.2783
Exact Mass
213.1265975
Charge
0
InChI
InChI=1S/C13H15N3/c1-16(10-11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,10,14H2,1H3
InChIKey
UNGGFHOYAUJICW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N(Cc1ccccc1)C
Isomeric Smiles
n1c(N(Cc2ccccc2)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2105532
LogD (pH = 7.4)
2.2454824
Log P
2.353622
Molar Refractivity
67.9562
Polarizability
25.002655
Polar Surface Area
42.15
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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