(2E)-2-[(4-chlorophenyl)methylidene]-4-nitroindene-1,3-dione

Formula:C16H8NO4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[(4-chlorophenyl)methylidene]-4-nitroindene-1,3-dione is a drug-like molecule.

MolName	(2E)-2-[(4-chlorophenyl)methylidene]-4-nitroindene-1,3-dione
MolecularFormula	C16H8NO4Cl
Smiles	[O-][N+](c1cccc(C(/C2=C\c(cc3)ccc3Cl)=O)c1C2=O)=O
InChI	InChI=1S/C16H8ClNO4/c17-10-6-4-9(5-7-10)8-12-15(19)11-2-1-3-13(18(21)22)14(11)16(12)20/h1-8H
InChIK	LUFSZUUNKNRTDG-UHFFFAOYSA-N
TotalMolweight	313.696
Molweight	313.696
MonoisotopicMass	313.014186
CLogP	2.8044
CLogS	-5.39
H Acceptors	5
TotalSurfaceArea	218.82
Relative PSA	0.2582
PolarSurfaceArea	79.96
Druglikeness	-4.4037
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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