Molecule

ID:35187

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₄
Molecular Mass
303.78178
Exact Mass
303.12373587
Charge
0
InChI
InChI=1S/C14H21NO4.ClH/c1-4-18-12-7-6-10(8-13(12)17-3)11(15)9-14(16)19-5-2;/h6-8,11H,4-5,9,15H2,1-3H3;1H
InChIKey
TXIDQHINGNZAJA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc(c(c1)OC)OCC)N.Cl
Isomeric Smiles
C(C(=O)OCC)C(c1cc(c(cc1)OCC)OC)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4132494
LogD (pH = 7.4)
0.048316248
Log P
1.4179448
Molar Refractivity
72.1783
Polarizability
28.708666
Polar Surface Area
70.78
Rotatable Bonds
8
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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