5-bromo-N-[(Z)-[3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C24H14N3O3BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(Z)-[3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-[3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C24H14N3O3BrCl2
Smiles	N#Cc1c(COc(c(Cl)cc(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)c2)c2Cl)cccc1
InChI	InChI=1S/C24H14BrCl2N3O3/c25-18-5-6-21-17(9-18)10-22(33-21)24(31)30-29-12-14-7-19(26)23(20(27)8-14)32-13-16-4-2-1-3-15(16)11-28/h1-10,12H,13H2,(H,30,31)
InChIK	DOMYLHNAUXKQCZ-UHFFFAOYSA-N
TotalMolweight	543.203
Molweight	543.203
MonoisotopicMass	540.959557
CLogP	6.8281
CLogS	-9.324
H Acceptors	6
H Donors	1
TotalSurfaceArea	365.98
Relative PSA	0.20132
PolarSurfaceArea	87.62
Druglikeness	-1.5448
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	3
StereoCon

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