Molecule

ID:46258

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-2-17-14(16)12-5-3-4-6-13(12)18-10-11-7-8-15-9-11;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKey
DFYRLTKGVMFWLQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
c1(C(=O)OCC)c(OCC2CNCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3623667
LogD (pH = 7.4)
-1.2037567
Log P
1.8772064
Molar Refractivity
69.5697
Polarizability
27.272266
Polar Surface Area
47.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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