Molecule

ID:43013

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c1-11-8-14-15(9-12(11)2)17(20)18(16(14)19)10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3
InChIKey
LWHPATCRRWDZNZ-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CC(=C(CC2C(=O)N1Cc1ccccc1)C)C
Isomeric Smiles
N1(C(=O)C2C(C1=O)CC(=C(C2)C)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5908625
LogD (pH = 7.4)
2.5908625
Log P
2.5908625
Molar Refractivity
78.0201
Polarizability
30.164284
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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