Molecule

ID:20979

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-3-12(2)13-4-6-14(7-5-13)17-15-8-10-16-11-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKey
ZWLIEKUIIWUPMP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OC1CCNCC1)C
Isomeric Smiles
N1CCC(Oc2ccc(cc2)C(CC)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.058488145
LogD (pH = 7.4)
0.78583044
Log P
3.1489105
Molar Refractivity
71.4694
Polarizability
28.327156
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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