Molecule

ID:55187

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Cl₂N₂O
Molecular Mass
281.22188
Exact Mass
280.11091869
Charge
0
InChI
InChI=1S/C12H20N2O.2ClH/c1-14(2)9-8-12(13)10-4-6-11(15-3)7-5-10;;/h4-7,12H,8-9,13H2,1-3H3;2*1H
InChIKey
VXLAYNLXRKGHJT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(CCN(C)C)N.Cl.Cl
Isomeric Smiles
c1(ccc(cc1)C(CCN(C)C)N)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.637542
LogD (pH = 7.4)
-2.1795182
Log P
1.0797143
Molar Refractivity
63.5493
Polarizability
25.125643
Polar Surface Area
38.49
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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