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

Formula:C15H12N2O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C15H12N2O6
Smiles	[O-][N+](c(cc1)ccc1NC(COC(/C=C/c1ccco1)=O)=O)=O
InChI	InChI=1S/C15H12N2O6/c18-14(16-11-3-5-12(6-4-11)17(20)21)10-23-15(19)8-7-13-2-1-9-22-13/h1-9H,10H2,(H,16,18)
InChIK	SGGQXHOCADEVLO-UHFFFAOYSA-N
TotalMolweight	316.268
Molweight	316.268
MonoisotopicMass	316.069538
CLogP	0.9613
CLogS	-3.543
H Acceptors	8
H Donors	1
TotalSurfaceArea	243.6
Relative PSA	0.37796
PolarSurfaceArea	114.36
Druglikeness	-4.7779
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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