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

Formula:C20H12N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(4-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(4-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C20H12N4O6
Smiles	N#C/C(/C(Nc(cc1)ccc1[N+]([O-])=O)=O)=C\c1ccc(-c2cccc([N+]([O-])=O)c2)o1
InChI	InChI=1S/C20H12N4O6/c21-12-14(20(25)22-15-4-6-16(7-5-15)23(26)27)11-18-8-9-19(30-18)13-2-1-3-17(10-13)24(28)29/h1-11H,(H,22,25)
InChIK	LRMUIMUQVGRGNA-UHFFFAOYSA-N
TotalMolweight	404.337
Molweight	404.337
MonoisotopicMass	404.075686
CLogP	2.084
CLogS	-6.15
H Acceptors	10
H Donors	1
TotalSurfaceArea	305.44
Relative PSA	0.36999
PolarSurfaceArea	157.67
Druglikeness	-5.8032
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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