Molecule

ID:130036

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12)18-6-3/h9-10H,4-8,15H2,1-3H3
InChIKey
ZIZQSXJSBRQJEB-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OCC)c(c(c1)OCC)OCC
Isomeric Smiles
CCOc1c(cc(cc1OCC)CCN)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0237299
LogD (pH = 7.4)
-0.30354694
Log P
1.9850855
Molar Refractivity
72.9218
Polarizability
28.537497
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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