Molecule

ID:21023

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-15(2,3)13-6-4-12(5-7-13)11-17-14-8-9-16-10-14/h4-7,14,16H,8-11H2,1-3H3
InChIKey
OVAMJZMOLCSGPE-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COC1CNCC1)(C)C
Isomeric Smiles
C(c1ccc(COC2CCNC2)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.25628042
LogD (pH = 7.4)
0.12505877
Log P
2.9778774
Molar Refractivity
71.582
Polarizability
28.337946
Polar Surface Area
21.26
Rotatable Bonds
4
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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