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

Formula:C22H15NO3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(9H-fluoren-3-yl)-3-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(9H-fluoren-3-yl)-3-(2-nitrophenyl)prop-2-en-1-one
MolecularFormula	C22H15NO3
Smiles	[O-][N+](c1c(/C=C/C(c2cc(-c3c(C4)cccc3)c4cc2)=O)cccc1)=O
InChI	InChI=1S/C22H15NO3/c24-22(12-11-15-5-2-4-8-21(15)23(25)26)18-10-9-17-13-16-6-1-3-7-19(16)20(17)14-18/h1-12,14H,13H2
InChIK	BQTXHPARSNIFFQ-UHFFFAOYSA-N
TotalMolweight	341.365
Molweight	341.365
MonoisotopicMass	341.105194
CLogP	4.4005
CLogS	-7.011
H Acceptors	4
TotalSurfaceArea	260.96
Relative PSA	0.16654
PolarSurfaceArea	62.89
Druglikeness	-5.12
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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