Molecule

ID:62162

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂O₂
Molecular Mass
321.24268
Exact Mass
320.10583331
Charge
0
InChI
InChI=1S/C14H20N2O2.2ClH/c1-2-18-14(17)9-8-11-5-3-6-13(16-11)12-7-4-10-15-12;;/h3,5-6,12,15H,2,4,7-10H2,1H3;2*1H
InChIKey
NPOAOOIDPBEFEV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCc1cccc(n1)C1CCCN1.Cl.Cl
Isomeric Smiles
n1c(C2NCCC2)cccc1CCC(=O)OCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.686999
LogD (pH = 7.4)
-0.5252505
Log P
1.4720827
Molar Refractivity
68.9157
Polarizability
27.559193
Polar Surface Area
51.22
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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