Molecule

ID:48890

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅ClN₂O
Molecular Mass
296.8355
Exact Mass
296.16554111
Charge
0
InChI
InChI=1S/C16H24N2O.ClH/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14-15H,3,6-7,10-12,17H2,1H3;1H
InChIKey
JOXDJOOHGLDEOD-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N(C1CCCCC1)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12575299
LogD (pH = 7.4)
1.8197381
Log P
2.5172951
Molar Refractivity
77.7461
Polarizability
30.764114
Polar Surface Area
46.33
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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