[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C15H11N2O6Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H11N2O6Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1NC(COC(/C=C/c1ccco1)=O)=O)=O
InChI	InChI=1S/C15H11ClN2O6/c16-12-8-10(18(21)22)3-5-13(12)17-14(19)9-24-15(20)6-4-11-2-1-7-23-11/h1-8H,9H2,(H,17,19)
InChIK	WJYAWBOSHBAZPI-UHFFFAOYSA-N
TotalMolweight	350.713
Molweight	350.713
MonoisotopicMass	350.030565
CLogP	1.5673
CLogS	-4.279
H Acceptors	8
H Donors	1
TotalSurfaceArea	259.02
Relative PSA	0.35546
PolarSurfaceArea	114.36
Druglikeness	-4.6905
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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