Molecule

ID:46300

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c1-12(17)14-4-6-15(7-5-14)18-10-8-13-3-2-9-16-11-13;/h4-7,13,16H,2-3,8-11H2,1H3;1H
InChIKey
RLRAYSYCIWQQAU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC1CNCCC1)C.Cl
Calculated Properties
JChem
Acid pKa
16.276026
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3121725
LogD (pH = 7.4)
-0.9361224
Log P
1.9221497
Molar Refractivity
72.4994
Polarizability
28.429958
Polar Surface Area
38.33
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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