Molecule

ID:21548

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-16-14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,17,18)
InChIKey
ZZBQSMGHRZEZIB-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1C(=O)NCc1ccccc1
Isomeric Smiles
c1(C(=O)NCc2ccccc2)c(NC)cccc1
Calculated Properties
JChem
Acid pKa
15.347828
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8940313
LogD (pH = 7.4)
2.8948035
Log P
2.8948135
Molar Refractivity
74.8395
Polarizability
27.585243
Polar Surface Area
41.13
Rotatable Bonds
4
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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