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

Formula:C20H10N4O6BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C20H10N4O6BrCl
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1[N+]([O-])=O)=O)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1
InChI	InChI=1S/C20H10BrClN4O6/c21-16-9-13(25(28)29)2-4-15(16)19-6-3-14(32-19)7-11(10-23)20(27)24-17-5-1-12(22)8-18(17)26(30)31/h1-9H,(H,24,27)
InChIK	WWNLDPHMDJGWJG-UHFFFAOYSA-N
TotalMolweight	517.678
Molweight	517.678
MonoisotopicMass	515.947224
CLogP	3.4152
CLogS	-7.72
H Acceptors	10
H Donors	1
TotalSurfaceArea	339.49
Relative PSA	0.33288
PolarSurfaceArea	157.67
Druglikeness	-7.5278
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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1 - (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide | 2 - (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide

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