Molecule

ID:115205

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c1-2-17-14-6-4-3-5-12(14)13-9-11(10-16)7-8-15(13)17/h3-9H,2,10,16H2,1H3
InChIKey
ZBQDOOFHOCKVEX-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)c1ccccc1n2CC
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(cc2)CN)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.17952535
LogD (pH = 7.4)
0.84016395
Log P
2.7971382
Molar Refractivity
71.5909
Polarizability
30.259127
Polar Surface Area
30.95
Rotatable Bonds
2
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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