[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C15H10N2O6BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C15H10N2O6BrCl
Smiles	[O-][N+](c(cc1)cc(Cl)c1NC(COC(/C=C/c(o1)ccc1Br)=O)=O)=O
InChI	InChI=1S/C15H10BrClN2O6/c16-13-5-2-10(25-13)3-6-15(21)24-8-14(20)18-12-4-1-9(19(22)23)7-11(12)17/h1-7H,8H2,(H,18,20)
InChIK	CNCPYRPLUQCQQW-UHFFFAOYSA-N
TotalMolweight	429.609
Molweight	429.609
MonoisotopicMass	427.941076
CLogP	2.3899
CLogS	-4.876
H Acceptors	8
H Donors	1
TotalSurfaceArea	277.65
Relative PSA	0.3316
PolarSurfaceArea	114.36
Druglikeness	-6.9265
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
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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