Molecule

ID:55233

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁Cl₂NO₂
Molecular Mass
318.23874
Exact Mass
317.09493428
Charge
0
InChI
InChI=1S/C15H20ClNO2.ClH/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-2-4-14(16)5-3-13;/h2-5,12H,6-11H2,1H3;1H
InChIKey
VQYFOXAIWHBGEC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)Cc1ccc(cc1)Cl.Cl
Isomeric Smiles
N1(Cc2ccc(Cl)cc2)CCC(CC(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.39012584
LogD (pH = 7.4)
2.160662
Log P
2.9262934
Molar Refractivity
77.1316
Polarizability
30.324324
Polar Surface Area
29.54
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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