(E)-1-(9H-fluoren-3-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Formula:C20H13NO4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(9H-fluoren-3-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(9H-fluoren-3-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
MolecularFormula	C20H13NO4
Smiles	[O-][N+](c1ccc(/C=C/C(c2cc(-c3c(C4)cccc3)c4cc2)=O)o1)=O
InChI	InChI=1S/C20H13NO4/c22-19(9-7-16-8-10-20(25-16)21(23)24)15-6-5-14-11-13-3-1-2-4-17(13)18(14)12-15/h1-10,12H,11H2
InChIK	VSWUXPZUDIOPRQ-UHFFFAOYSA-N
TotalMolweight	331.326
Molweight	331.326
MonoisotopicMass	331.084459
CLogP	3.9406
CLogS	-7.218
H Acceptors	5
TotalSurfaceArea	250.65
Relative PSA	0.22968
PolarSurfaceArea	76.03
Druglikeness	-2.397
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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