Molecule

ID:16477

General Information
Structure
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-14(2)12-15(8-10-16,9-11-17-14)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChIKey
YZLPLFKCBAIVRZ-UHFFFAOYSA-N
Canonic Smiles
NCCC1(CCOC(C1)(C)C)c1ccccc1
Isomeric Smiles
C1(c2ccccc2)(CC(OCC1)(C)C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.72553974
LogD (pH = 7.4)
-0.19177344
Log P
2.2939458
Molar Refractivity
71.5174
Polarizability
28.343939
Polar Surface Area
35.25
Rotatable Bonds
3
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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