(E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

Formula:C13H8NO5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C13H8NO5
Smiles	[O-]C(/C=C/c1ccc(-c2cccc([N+]([O-])=O)c2)o1)=O
InChI	InChI=1S/C13H9NO5/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-8H,(H,15,16)/p-1
InChIK	XTMFADOEDNSWOV-UHFFFAOYSA-M
TotalMolweight	258.209
Molweight	258.209
MonoisotopicMass	258.040249
CLogP	-0.5848
CLogS	-3.919
H Acceptors	6
TotalSurfaceArea	198.16
Relative PSA	0.36259
PolarSurfaceArea	99.09
Druglikeness	-3.8715
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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