Molecule

ID:128286

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O₃
Molecular Mass
308.41582
Exact Mass
308.20999277
Charge
0
InChI
InChI=1S/C17H28N2O3/c1-4-7-12-21-16-14(9-8-10-15(16)18)17(20)22-13-11-19(5-2)6-3/h8-10H,4-7,11-13,18H2,1-3H3
InChIKey
LJQWYEFHNLTPBZ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC
Isomeric Smiles
CCCCOc1c(cccc1N)C(=O)OCCN(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.13571289
LogD (pH = 7.4)
1.4779117
Log P
3.046285
Molar Refractivity
90.6368
Polarizability
34.666412
Polar Surface Area
64.79
Rotatable Bonds
11
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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