Molecule

ID:55237

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂O₂
Molecular Mass
321.24268
Exact Mass
320.10583331
Charge
0
InChI
InChI=1S/C14H20N2O2.2ClH/c1-18-14(17)9-12-4-7-16(8-5-12)11-13-3-2-6-15-10-13;;/h2-3,6,10,12H,4-5,7-9,11H2,1H3;2*1H
InChIKey
QSHRKAKQVBEUSN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)Cc1cccnc1.Cl.Cl
Isomeric Smiles
N1(Cc2cnccc2)CCC(CC(=O)OC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.6789823
LogD (pH = 7.4)
0.087290935
Log P
1.1045763
Molar Refractivity
70.1699
Polarizability
27.560812
Polar Surface Area
42.43
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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