Molecule

ID:29656

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-12-5-6-13(2)14(11-12)17-10-8-15-7-4-9-16-3/h5-6,11,15H,4,7-10H2,1-3H3
InChIKey
XQAAVDBRCDVOKW-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCOc1cc(C)ccc1C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6885804
LogD (pH = 7.4)
0.36948282
Log P
2.490998
Molar Refractivity
71.2369
Polarizability
27.808468
Polar Surface Area
30.49
Rotatable Bonds
8
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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