Molecule

ID:79230

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₂N₂O₂
Molecular Mass
299.15258
Exact Mass
298.02758299
Charge
0
InChI
InChI=1S/C13H12Cl2N2O2/c1-3-19-13(18)10-7-16-17(8(10)2)9-4-5-11(14)12(15)6-9/h4-7H,3H2,1-2H3
InChIKey
INZICLZTSHHVLS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(c2ccc(c(c2)Cl)Cl)c(c(cn1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8269868
LogD (pH = 7.4)
3.8269997
Log P
3.827
Molar Refractivity
75.9529
Polarizability
29.24069
Polar Surface Area
44.12
Rotatable Bonds
4
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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