Molecule

ID:21936

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16/h3-11H,2,16H2,1H3
InChIKey
ZUZWUZRAIHASNW-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccccc1N)c1ccccc1
Isomeric Smiles
C(=O)(c1c(N)cccc1)N(c1ccccc1)CC
Calculated Properties
JChem
Acid pKa
19.999575
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.106749
LogD (pH = 7.4)
3.1070745
Log P
3.1070788
Molar Refractivity
74.1564
Polarizability
27.773706
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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