Molecule

ID:121442

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-12(13-7-5-4-6-8-13)16-14-9-10-17-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3
InChIKey
PRJFAYDNJPOQFB-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NC1CCOC(C1)(C)C
Isomeric Smiles
N(C(c1ccccc1)C)C1CC(OCC1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.61007726
LogD (pH = 7.4)
0.12629381
Log P
2.6065075
Molar Refractivity
71.2573
Polarizability
28.42215
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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