Molecule

ID:23391

General Information
Structure
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(16)11-9-12/h3-11H,2,16H2,1H3
InChIKey
CQVXDHAQPYPAEU-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1)N)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)CC)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.455961
LogD (pH = 7.4)
2.4570646
Log P
2.4570787
Molar Refractivity
74.1564
Polarizability
27.771776
Polar Surface Area
46.33
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
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Molecule Details
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References
Bioactivity
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