Molecule

ID:48523

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₃
Molecular Mass
213.2783
Exact Mass
213.1265975
Charge
0
InChI
InChI=1S/C13H15N3/c1-16(10-11-6-3-2-4-7-11)13-12(14)8-5-9-15-13/h2-9H,10,14H2,1H3
InChIKey
JUPIBUVTFBCMRW-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncccc1N)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)C)ncccc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1493313
LogD (pH = 7.4)
2.2156146
Log P
2.353622
Molar Refractivity
67.9562
Polarizability
25.00406
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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