C16H13N2O3BrCl2 | Cheminformatics

2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide

Formula:C16H13N2O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
MolecularFormulaC16H13N2O3BrCl2
SmilesCOc(cc(C=NNC(COc(ccc(Cl)c1)c1Br)=O)cc1)c1Cl
InChIInChI=1S/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22)
InChIKVXXJPZTVXBTMGY-UHFFFAOYSA-N
TotalMolweight432.1
Molweight432.1
MonoisotopicMass429.948658
CLogP4.6437
CLogS-5.825
H Acceptors5
H Donors1
TotalSurfaceArea282.48
Relative PSA0.19828
PolarSurfaceArea59.92
Druglikeness2.449
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
StereoCon

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