Molecule

ID:47832

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c1-11-10-13(16)6-7-14(11)17-9-8-12-4-2-3-5-15(12)17/h2-7,10H,8-9,16H2,1H3
InChIKey
TYTIDWCDBQFLGA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)C)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0485399
LogD (pH = 7.4)
3.355473
Log P
3.3612316
Molar Refractivity
72.4921
Polarizability
26.87806
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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