Molecule

ID:123952

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14;/h6-8,12,16H,1-5,9-11H2;1H
InChIKey
FZBWYZDBRPXJIP-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.059595313
LogD (pH = 7.4)
0.881513
Log P
3.2691114
Molar Refractivity
70.8179
Polarizability
28.319267
Polar Surface Area
30.49
Rotatable Bonds
4
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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