Molecule

ID:28819

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h7-10,13,16H,2-6,11-12H2,1H3
InChIKey
QVQHJJURPZLHBG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCC1CCCCC1
Isomeric Smiles
N(Cc1ccc(cc1)OC)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26839545
LogD (pH = 7.4)
0.95867866
Log P
3.4882066
Molar Refractivity
71.5142
Polarizability
28.404951
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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