Molecule

ID:76294

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(6-4-8-16-11-14)9-12-5-3-7-15-10-12;;/h3,5,7,10,16H,2,4,6,8-9,11H2,1H3;2*1H
InChIKey
QSDAVVWOASVJKD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCNC1)Cc1cccnc1.Cl.Cl
Isomeric Smiles
N1CC(C(=O)OCC)(Cc2cnccc2)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7121127
LogD (pH = 7.4)
-0.2553594
Log P
1.4555562
Molar Refractivity
69.4791
Polarizability
27.562695
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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