5-bromo-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C21H12N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:low 5-bromo-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormula	C21H12N3O3Br
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=N\NC(c2cc(cc(cc3)Br)c3o2)=O)o1
InChI	InChI=1S/C21H12BrN3O3/c22-16-5-7-19-15(9-16)10-20(28-19)21(26)25-24-12-17-6-8-18(27-17)14-3-1-13(11-23)2-4-14/h1-10,12H,(H,25,26)
InChIK	WRCXKMOHLQFAMJ-UHFFFAOYSA-N
TotalMolweight	434.248
Molweight	434.248
MonoisotopicMass	433.006203
CLogP	5.2069
CLogS	-7.971
H Acceptors	6
H Donors	1
TotalSurfaceArea	301.07
Relative PSA	0.25838
PolarSurfaceArea	91.53
Druglikeness	0.57774
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
StereoCon

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