Molecule

ID:20561

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂O
Molecular Mass
273.15836
Exact Mass
272.04831844
Charge
0
InChI
InChI=1S/C12H12N2O.2ClH/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11;;/h2-8H,13H2,1H3;2*1H
InChIKey
QAWGGQJYVWLOCI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)Oc1cccnc1.Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)Oc1cnccc1)N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8782026
LogD (pH = 7.4)
1.93952
Log P
1.940356
Molar Refractivity
59.8835
Polarizability
22.666117
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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