(E)-N-(2-chloro-4-nitrophenyl)-3-(furan-2-yl)prop-2-enamide

Formula:C13H9N2O4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-(2-chloro-4-nitrophenyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-chloro-4-nitrophenyl)-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C13H9N2O4Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1NC(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C13H9ClN2O4/c14-11-8-9(16(18)19)3-5-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17)
InChIK	CSQGTADKDKYJBO-UHFFFAOYSA-N
TotalMolweight	292.677
Molweight	292.677
MonoisotopicMass	292.025085
CLogP	2.0094
CLogS	-4.376
H Acceptors	6
H Donors	1
TotalSurfaceArea	217.51
Relative PSA	0.31736
PolarSurfaceArea	88.06
Druglikeness	-5.1677
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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