Molecule

ID:47600

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11,16H2
InChIKey
SRFSVLGXQUCGKN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(N)cccc2)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.997526
LogD (pH = 7.4)
3.0164783
Log P
3.0167253
Molar Refractivity
73.1092
Polarizability
26.960518
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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