5-bromo-N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

Formula:C19H12N2O3Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C19H12N2O3Br2
Smiles	C#CCOc(cc1)c(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)cc1Br
InChI	InChI=1S/C19H12Br2N2O3/c1-2-7-25-16-5-3-15(21)9-13(16)11-22-23-19(24)18-10-12-8-14(20)4-6-17(12)26-18/h1,3-6,8-11H,7H2,(H,23,24)
InChIK	DAXMYDIYPNKNHZ-UHFFFAOYSA-N
TotalMolweight	476.123
Molweight	476.123
MonoisotopicMass	473.921465
CLogP	5.1148
CLogS	-7.214
H Acceptors	5
H Donors	1
TotalSurfaceArea	296.11
Relative PSA	0.20303
PolarSurfaceArea	63.83
Druglikeness	2.725
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
StereoCon

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