Molecule

ID:52399

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-14-13-18(17(20)19(14)2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKey
XAVFJHLZSOZVHD-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C(=O)N1C)(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(=O)C(CC1C)(c1ccccc1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4272504
LogD (pH = 7.4)
3.4272504
Log P
3.4272504
Molar Refractivity
80.7184
Polarizability
31.480291
Polar Surface Area
20.31
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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