Molecule

ID:45701

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c17-15(12-13-6-2-1-3-7-13)18-11-9-14-8-4-5-10-16-14;/h1-3,6-7,14,16H,4-5,8-12H2;1H
InChIKey
WAGIAWVVZCHWST-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(Cc1ccccc1)OCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8689669
LogD (pH = 7.4)
-0.41147763
Log P
2.3625777
Molar Refractivity
71.5367
Polarizability
28.466202
Polar Surface Area
38.33
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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