N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C27H19N2O3Br Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C27H19N2O3Br
Smiles	O=C(c1cc(cccc2)c2o1)N/N=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12
InChI	InChI=1S/C27H19BrN2O3/c28-23-14-18(16-29-30-27(31)26-15-20-7-2-4-11-24(20)33-26)12-13-25(23)32-17-21-9-5-8-19-6-1-3-10-22(19)21/h1-16H,17H2,(H,30,31)
InChIK	HWLZFYBUPOHHNI-UHFFFAOYSA-N
TotalMolweight	499.363
Molweight	499.363
MonoisotopicMass	498.057904
CLogP	6.9749
CLogS	-8.685
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.03
Relative PSA	0.17274
PolarSurfaceArea	63.83
Druglikeness	2.6867
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
StereoCon

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