Molecule

ID:30203

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-2-9-18-15-6-5-13(12-17)10-14(15)11-16-7-3-4-8-16/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKey
MPNNQGFQYNPFSN-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1CN1CCCC1)C=O
Isomeric Smiles
c1(CN2CCCC2)c(ccc(c1)C=O)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7642654
LogD (pH = 7.4)
2.401166
Log P
2.7546015
Molar Refractivity
74.4615
Polarizability
28.426147
Polar Surface Area
29.54
Rotatable Bonds
6
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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