Molecule

ID:47056

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)11-5-7-12(8-6-11)18-13-4-3-9-15-10-13;/h5-8,13,15H,2-4,9-10H2,1H3;1H
InChIKey
DNWRXNXLTAIICV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(OC2CNCCC2)cc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.88531774
LogD (pH = 7.4)
0.2616837
Log P
2.2770207
Molar Refractivity
69.2307
Polarizability
27.269293
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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