Molecule

ID:47058

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-2-18-15(17)13-5-7-14(8-6-13)19-11-12-4-3-9-16-10-12;/h5-8,12,16H,2-4,9-11H2,1H3;1H
InChIKey
PBUOZVUMMTXGPY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(OCC2CNCCC2)cc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9001121
LogD (pH = 7.4)
-0.24252486
Log P
2.3217752
Molar Refractivity
74.1707
Polarizability
29.110025
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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