Molecule

ID:21547

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-17-15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKey
QDLVHIXBWKCXDP-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1C(=O)NCCc1ccccc1
Isomeric Smiles
c1(C(=O)NCCc2ccccc2)c(NC)cccc1
Calculated Properties
JChem
Acid pKa
15.370134
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1826847
LogD (pH = 7.4)
3.1834648
Log P
3.1834745
Molar Refractivity
79.5945
Polarizability
29.432411
Polar Surface Area
41.13
Rotatable Bonds
5
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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