Molecule

ID:48878

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O
Molecular Mass
270.79822
Exact Mass
270.14989105
Charge
0
InChI
InChI=1S/C14H22N2O.ClH/c1-3-4-10-16(2)14(17)13(15)11-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,15H2,1-2H3;1H
InChIKey
OLLUFBJDKBJMOC-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C(Cc1ccccc1)N)C.Cl
Isomeric Smiles
C(=O)(C(Cc1ccccc1)N)N(CCCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3498667
LogD (pH = 7.4)
1.3441097
Log P
2.0419235
Molar Refractivity
70.6055
Polarizability
27.809633
Polar Surface Area
46.33
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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