Molecule

ID:31189

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂
Molecular Mass
236.31164
Exact Mass
236.13134852
Charge
0
InChI
InChI=1S/C16H16N2/c1-12-9-14-10-15(17)7-8-16(14)18(12)11-13-5-3-2-4-6-13/h2-10H,11,17H2,1H3
InChIKey
LJLQCOSHAAUPAW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc(n2Cc1ccccc1)C
Isomeric Smiles
n1(c(cc2c1ccc(c2)N)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.383769
LogD (pH = 7.4)
3.3907032
Log P
3.3907924
Molar Refractivity
76.5039
Polarizability
29.913635
Polar Surface Area
30.95
Rotatable Bonds
2
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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