2-(4-bromo-2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

Formula:C16H10N3O2BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-bromo-2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C16H10N3O2BrCl2
Smiles	N#Cc(cc(cc1)Br)c1OCC(N/N=C\c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C16H10BrCl2N3O2/c17-12-2-4-15(11(5-12)7-20)24-9-16(23)22-21-8-10-1-3-13(18)6-14(10)19/h1-6,8H,9H2,(H,22,23)
InChIK	JHCARCJZBWTFLG-UHFFFAOYSA-N
TotalMolweight	427.084
Molweight	427.084
MonoisotopicMass	424.933342
CLogP	4.5493
CLogS	-6.58
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.93
Relative PSA	0.21129
PolarSurfaceArea	74.48
Druglikeness	-1.8422
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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