N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

Formula:C18H13N2O3BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.

MolName	N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
MolecularFormula	C18H13N2O3BrCl2
Smiles	C#CCOc(cc1)c(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)cc1Br
InChI	InChI=1S/C18H13BrCl2N2O3/c1-2-7-25-16-5-3-13(19)8-12(16)10-22-23-18(24)11-26-17-6-4-14(20)9-15(17)21/h1,3-6,8-10H,7,11H2,(H,23,24)
InChIK	YYSYIKCBIBATRZ-UHFFFAOYSA-N
TotalMolweight	456.122
Molweight	456.122
MonoisotopicMass	453.948658
CLogP	4.6709
CLogS	-6.449
H Acceptors	5
H Donors	1
TotalSurfaceArea	307.79
Relative PSA	0.18197
PolarSurfaceArea	59.92
Druglikeness	2.4605
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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