Molecule

ID:33735

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-12-5-3-4-8-16(12)10-14-9-13(11-17)6-7-15(14)18-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKey
JMECIOBNLQQWPB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCCC1C)C=O
Isomeric Smiles
N1(Cc2c(ccc(c2)C=O)OC)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5505249
LogD (pH = 7.4)
2.2572012
Log P
2.736415
Molar Refractivity
74.2087
Polarizability
28.426317
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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