Molecule

ID:16044

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂
Molecular Mass
200.27954
Exact Mass
200.13134852
Charge
0
InChI
InChI=1S/C13H16N2/c1-9-8-12(6-7-13(9)14)15-10(2)4-5-11(15)3/h4-8H,14H2,1-3H3
InChIKey
XDFOPWHDXDNRRD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)n1c(C)ccc1C
Isomeric Smiles
n1(c2cc(c(cc2)N)C)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9710269
LogD (pH = 7.4)
2.2692957
Log P
2.2748
Molar Refractivity
75.8514
Polarizability
24.796198
Polar Surface Area
30.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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