Molecule

ID:10454

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂Cl₂N₂O
Molecular Mass
271.14248
Exact Mass
270.03266837
Charge
0
InChI
InChI=1S/C12H11ClN2O.ClH/c13-9-1-5-11(6-2-9)16-12-7-3-10(15-14)4-8-12;/h1-8,15H,14H2;1H
InChIKey
RZATYTZYCPATNG-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)Oc1ccc(cc1)Cl.Cl
Isomeric Smiles
O(c1ccc(cc1)Cl)c1ccc(cc1)NN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.256893
LogD (pH = 7.4)
3.465785
Log P
3.4692204
Molar Refractivity
66.8103
Polarizability
25.071901
Polar Surface Area
47.28
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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