Molecule

ID:18753

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃
Molecular Mass
278.34678
Exact Mass
278.16304257
Charge
0
InChI
InChI=1S/C15H22N2O3/c1-16-6-8-17(9-7-16)10-11-20-15-13(12-18)4-3-5-14(15)19-2/h3-5,12H,6-11H2,1-2H3
InChIKey
KVKPODPPRFYGGZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCCN1CCN(CC1)C)C=O
Isomeric Smiles
c1(c(C=O)cccc1OC)OCCN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.67728615
LogD (pH = 7.4)
0.9254523
Log P
1.2361697
Molar Refractivity
79.6376
Polarizability
30.634434
Polar Surface Area
42.01
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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