Molecule

ID:46299

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)14-2-4-15(5-3-14)18-11-8-13-6-9-16-10-7-13;/h2-5,13,16H,6-11H2,1H3;1H
InChIKey
GZCZMSXEKYFHSD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC1CCNCC1)C.Cl
Calculated Properties
JChem
Acid pKa
16.276026
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3873898
LogD (pH = 7.4)
-0.9309998
Log P
1.844196
Molar Refractivity
72.5764
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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