Molecule

ID:89242

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c1-2-4-14-13(3-1)7-10-17-15(14)11-12-5-8-16-9-6-12/h1-6,8-9,15,17H,7,10-11H2
InChIKey
XZXRLJQGLNCIJN-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CC1NCCc2c1cccc2
Isomeric Smiles
N1C(c2ccccc2CC1)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9183853
LogD (pH = 7.4)
0.4373734
Log P
2.426712
Molar Refractivity
69.4965
Polarizability
27.074255
Polar Surface Area
24.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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