Molecule

ID:55042

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂N₂O
Molecular Mass
275.17424
Exact Mass
274.0639685
Charge
0
InChI
InChI=1S/C12H14N2O.2ClH/c1-9-5-6-10-3-2-4-11(12(10)14-9)15-8-7-13;;/h2-6H,7-8,13H2,1H3;2*1H
InChIKey
FYIPLCASEJUNIE-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cccc2c1nc(C)cc2.Cl.Cl
Isomeric Smiles
n1c2c(OCCN)cccc2ccc1C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6578754
LogD (pH = 7.4)
-0.5483436
Log P
1.3076155
Molar Refractivity
58.9838
Polarizability
24.649128
Polar Surface Area
48.14
Rotatable Bonds
3
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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