5-bromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C28H18N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-bromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C28H18N3O3Br
Smiles	N#Cc1c(COc2c(/C=N\NC(c3cc(cc(cc4)Br)c4o3)=O)c3ccccc3cc2)cccc1
InChI	InChI=1S/C28H18BrN3O3/c29-22-10-12-25-21(13-22)14-27(35-25)28(33)32-31-16-24-23-8-4-3-5-18(23)9-11-26(24)34-17-20-7-2-1-6-19(20)15-30/h1-14,16H,17H2,(H,32,33)
InChIK	YLDVBCXEWSGRMB-UHFFFAOYSA-N
TotalMolweight	524.373
Molweight	524.373
MonoisotopicMass	523.053153
CLogP	6.8105
CLogS	-9.458
H Acceptors	6
H Donors	1
TotalSurfaceArea	369.74
Relative PSA	0.19928
PolarSurfaceArea	87.62
Druglikeness	-1.5933
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
StereoCon

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