Molecule
ID:41559
General Information
Molecular Formula
C₁₄H₁₄Cl₂N₂O₂
Molecular Mass
313.17916
Exact Mass
312.04323306
Charge
0
InChI
InChI=1S/C14H14Cl2N2O2/c1-4-20-14(19)12-8(2)17-18(9(12)3)13-10(15)6-5-7-11(13)16/h5-7H,4H2,1-3H3
InChIKey
MICGKQTZVXSCDN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)nn(c1C)c1c(Cl)cccc1Cl
Isomeric Smiles
n1(nc(c(c1C)C(=O)OCC)C)c1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.958245
LogD (pH = 7.4)
3.9583685
Log P
3.95837
Molar Refractivity
80.5444
Polarizability
31.005358
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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