Molecule

ID:47334

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)14-5-3-2-4-13(14)11-19-10-12-6-8-16-9-7-12;/h2-5,12,16H,6-11H2,1H3;1H
InChIKey
OQLVTXDLVGGAER-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1c(COCC2CCNCC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2745631
LogD (pH = 7.4)
-0.8138084
Log P
1.9568584
Molar Refractivity
74.6248
Polarizability
29.12106
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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