Molecule

ID:20755

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO
Molecular Mass
245.35992
Exact Mass
245.17796436
Charge
0
InChI
InChI=1S/C16H23NO/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h3,5,7,13,17H,1-2,4,6,8-12H2
InChIKey
MGYSIUZVGJHYNQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccc2c1CCCC2
Isomeric Smiles
c12c(OCC3CCNCC3)cccc1CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14076681
LogD (pH = 7.4)
0.6015376
Log P
3.3721876
Molar Refractivity
74.9778
Polarizability
29.356613
Polar Surface Area
21.26
Rotatable Bonds
3
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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