(E)-2-benzamido-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid

Formula:C20H14N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-benzamido-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-2-benzamido-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid
MolecularFormula	C20H14N2O6
Smiles	[O-][N+](c1cc(-c2ccc(/C=C(\C(O)=O)/NC(c3ccccc3)=O)o2)ccc1)=O
InChI	InChI=1S/C20H14N2O6/c23-19(13-5-2-1-3-6-13)21-17(20(24)25)12-16-9-10-18(28-16)14-7-4-8-15(11-14)22(26)27/h1-12H,(H,21,23)(H,24,25)
InChIK	HHPCAQCBQSNNRF-UHFFFAOYSA-N
TotalMolweight	378.339
Molweight	378.339
MonoisotopicMass	378.085188
CLogP	2.7787
CLogS	-5.294
H Acceptors	8
H Donors	2
TotalSurfaceArea	284.16
Relative PSA	0.33492
PolarSurfaceArea	125.36
Druglikeness	-4.4102
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
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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