Molecule

ID:15633

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂
Molecular Mass
200.27954
Exact Mass
200.13134852
Charge
0
InChI
InChI=1S/C13H16N2/c1-15-12(9-14-11-6-7-11)8-10-4-2-3-5-13(10)15/h2-5,8,11,14H,6-7,9H2,1H3
InChIKey
LHZVNYRFQQSGLL-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CNC2CC2)cc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CNC1CC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8376314
LogD (pH = 7.4)
0.56473786
Log P
2.2395983
Molar Refractivity
62.3779
Polarizability
25.557
Polar Surface Area
16.96
Rotatable Bonds
3
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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