Molecule

ID:126281

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c1-4-5-8-18-14-12(16-2)9-11(6-7-15)10-13(14)17-3/h9-10H,4-8,15H2,1-3H3
InChIKey
CHHALFOHMQNBAW-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1c(OC)cc(cc1OC)CCN
Isomeric Smiles
COc1cc(cc(OC)c1OCCCC)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7702754
LogD (pH = 7.4)
-0.05038077
Log P
2.2385607
Molar Refractivity
72.5496
Polarizability
28.537794
Polar Surface Area
53.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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