Molecule

ID:47338

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-18-15(17)14-6-4-12(5-7-14)10-19-11-13-3-2-8-16-9-13;/h4-7,13,16H,2-3,8-11H2,1H3;1H
InChIKey
RUQUJZSZMQNQIG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)COCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)COCC1CNCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2308167
LogD (pH = 7.4)
-0.71586865
Log P
1.9984152
Molar Refractivity
74.526
Polarizability
29.120565
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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