Molecule

ID:125409

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c1-5-6-18-14-12(16-3)8-11(7-10(2)15)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKey
KKMCHCCXGKYEKJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(OC)cc(cc1OC)CC(N)C
Isomeric Smiles
CC(N)Cc1cc(OC)c(OCCC)c(c1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.807873
LogD (pH = 7.4)
-0.25159565
Log P
2.210567
Molar Refractivity
72.3674
Polarizability
28.537628
Polar Surface Area
53.71
Rotatable Bonds
7
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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