Molecule

ID:23322

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(16)10-13/h2-10H,11,16H2,1H3
InChIKey
PLNSWOWXHSNRJQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N(Cc1ccccc1)C
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1642995
LogD (pH = 7.4)
2.166754
Log P
2.1667855
Molar Refractivity
74.2428
Polarizability
27.584614
Polar Surface Area
46.33
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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