Molecule

ID:47057

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)11-3-5-12(6-4-11)18-13-7-9-15-10-8-13;/h3-6,13,15H,2,7-10H2,1H3;1H
InChIKey
PUGAZCPGVWMHTO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(OC2CCNCC2)cc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.387781
LogD (pH = 7.4)
-0.54346246
Log P
1.8196176
Molar Refractivity
69.4515
Polarizability
27.269346
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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