Molecule

ID:47053

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-17-14(16)12-6-2-3-7-13(12)18-10-11-5-4-8-15-9-11;/h2-3,6-7,11,15H,4-5,8-10H2,1H3;1H
InChIKey
ZPAFMLQIXXKJAN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1OCC1CCCNC1.Cl
Isomeric Smiles
c1(C(=O)OC)c(OCC2CNCCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.25692
LogD (pH = 7.4)
-0.5993327
Log P
1.9649671
Molar Refractivity
69.4221
Polarizability
27.272299
Polar Surface Area
47.56
Rotatable Bonds
5
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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