Molecule

ID:14066

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3
InChIKey
VPHCFSLKUFAMIT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1NC(CC1c1ccccc1)c1ccccc1
Isomeric Smiles
C1(N(NC(C1)c1ccccc1)C(=O)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5622144
LogD (pH = 7.4)
2.5773075
Log P
2.5775032
Molar Refractivity
89.6362
Polarizability
31.052385
Polar Surface Area
32.34
Rotatable Bonds
2
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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