Molecule

ID:30873

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂O
Molecular Mass
293.23258
Exact Mass
292.11091869
Charge
0
InChI
InChI=1S/C13H20N2O.2ClH/c14-13(12-4-2-1-3-5-12)6-7-15-8-10-16-11-9-15;;/h1-5,13H,6-11,14H2;2*1H
InChIKey
KWPJUBVGCSKYBO-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CCN1CCOCC1.Cl.Cl
Isomeric Smiles
N1(CCC(c2ccccc2)N)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9550993
LogD (pH = 7.4)
-1.2784884
Log P
1.0188851
Molar Refractivity
66.1606
Polarizability
26.25117
Polar Surface Area
38.49
Rotatable Bonds
4
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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