Molecule

ID:48889

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅ClN₂O
Molecular Mass
284.8248
Exact Mass
284.16554111
Charge
0
InChI
InChI=1S/C15H24N2O.ClH/c1-3-10-17(11-4-2)15(18)14(16)12-13-8-6-5-7-9-13;/h5-9,14H,3-4,10-12,16H2,1-2H3;1H
InChIKey
RCKKPLQSILZGNS-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)C(Cc1ccccc1)N)CCC.Cl
Isomeric Smiles
C(=O)(C(Cc1ccccc1)N)N(CCC)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.08514165
LogD (pH = 7.4)
1.7791268
Log P
2.4766853
Molar Refractivity
75.2771
Polarizability
29.655117
Polar Surface Area
46.33
Rotatable Bonds
7
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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