(Z)-N-benzyl-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide

Formula:C21H14N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-N-benzyl-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C21H14N3O4Br
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1
InChI	InChI=1S/C21H14BrN3O4/c22-19-11-16(25(27)28)6-8-18(19)20-9-7-17(29-20)10-15(12-23)21(26)24-13-14-4-2-1-3-5-14/h1-11H,13H2,(H,24,26)
InChIK	SJENCNPBQHKSOA-UHFFFAOYSA-N
TotalMolweight	452.263
Molweight	452.263
MonoisotopicMass	451.016768
CLogP	3.4402
CLogS	-6.34
H Acceptors	7
H Donors	1
TotalSurfaceArea	314.16
Relative PSA	0.26289
PolarSurfaceArea	111.85
Druglikeness	-7.1632
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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