Molecule

ID:76345

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂O₂
Molecular Mass
321.24268
Exact Mass
320.10583331
Charge
0
InChI
InChI=1S/C14H20N2O2.2ClH/c1-2-18-13(17)14(7-5-8-15-11-14)10-12-6-3-4-9-16-12;;/h3-4,6,9,15H,2,5,7-8,10-11H2,1H3;2*1H
InChIKey
POGQTHIQMCYEER-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCNC1)Cc1ccccn1.Cl.Cl
Isomeric Smiles
N1CC(C(=O)OCC)(Cc2ncccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7498264
LogD (pH = 7.4)
-0.34907404
Log P
1.3294721
Molar Refractivity
69.0553
Polarizability
27.56319
Polar Surface Area
51.22
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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