Molecule

ID:66496

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂O
Molecular Mass
273.15836
Exact Mass
272.04831844
Charge
0
InChI
InChI=1S/C12H12N2O.2ClH/c1-15-11-5-2-9(3-6-11)10-4-7-12(13)14-8-10;;/h2-8H,1H3,(H2,13,14);2*1H
InChIKey
VNQHMWLRCKDUSO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(nc1)N.Cl.Cl
Isomeric Smiles
Nc1ccc(cn1)c1ccc(cc1)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1941525
LogD (pH = 7.4)
1.9749883
Log P
2.010659
Molar Refractivity
60.5144
Polarizability
24.073992
Polar Surface Area
48.14
Rotatable Bonds
2
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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