Molecule

ID:29002

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-12(2)11-17-14-9-7-6-8-13(14)10-16-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKey
XJYGRXOGFYICPL-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1CNC(C)(C)C)C
Isomeric Smiles
c1(c(OCC(C)C)cccc1)CNC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53463423
LogD (pH = 7.4)
1.779263
Log P
3.6721861
Molar Refractivity
73.319
Polarizability
29.14528
Polar Surface Area
21.26
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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