(Z)-2-naphthalen-1-yl-3-(5-nitrofuran-2-yl)prop-2-enoic acid

Formula:C17H11NO5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-naphthalen-1-yl-3-(5-nitrofuran-2-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(Z)-2-naphthalen-1-yl-3-(5-nitrofuran-2-yl)prop-2-enoic acid
MolecularFormula	C17H11NO5
Smiles	[O-][N+](c1ccc(/C=C(\C(O)=O)/c2cccc3ccccc23)o1)=O
InChI	InChI=1S/C17H11NO5/c19-17(20)15(10-12-8-9-16(23-12)18(21)22)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20)
InChIK	OLPHOJMHHRRDKL-UHFFFAOYSA-N
TotalMolweight	309.276
Molweight	309.276
MonoisotopicMass	309.063724
CLogP	2.6236
CLogS	-5.229
H Acceptors	6
H Donors	1
TotalSurfaceArea	229.79
Relative PSA	0.30754
PolarSurfaceArea	96.26
Druglikeness	-2.4909
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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