(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyano-N-(2-fluoro-5-nitrophenyl)prop-2-enamide

Formula:C20H10N4O6ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyano-N-(2-fluoro-5-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyano-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
MolecularFormula	C20H10N4O6ClF
Smiles	N#C/C(/C(Nc(cc(cc1)[N+]([O-])=O)c1F)=O)=C\c1ccc(-c(ccc(Cl)c2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C20H10ClFN4O6/c21-12-1-4-15(18(8-12)26(30)31)19-6-3-14(32-19)7-11(10-23)20(27)24-17-9-13(25(28)29)2-5-16(17)22/h1-9H,(H,24,27)
InChIK	AXUGJLJAKXSFEE-UHFFFAOYSA-N
TotalMolweight	456.772
Molweight	456.772
MonoisotopicMass	456.027291
CLogP	2.7908
CLogS	-7.2
H Acceptors	10
H Donors	1
TotalSurfaceArea	327.21
Relative PSA	0.34537
PolarSurfaceArea	157.67
Druglikeness	-7.0778
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.53125
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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