Molecule

ID:24223

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₂O₂
Molecular Mass
295.2054
Exact Mass
294.09018325
Charge
0
InChI
InChI=1S/C12H18N2O2.2ClH/c1-14(2)6-5-13-8-10-3-4-11-12(7-10)16-9-15-11;;/h3-4,7,13H,5-6,8-9H2,1-2H3;2*1H
InChIKey
ZWWSRFOAOCVNQW-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccc2c(c1)OCO2)C.Cl.Cl
Isomeric Smiles
c12c(ccc(c1)CNCCN(C)C)OCO2.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1040971
LogD (pH = 7.4)
-0.6525331
Log P
1.1734726
Molar Refractivity
63.092
Polarizability
25.047077
Polar Surface Area
33.73
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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