(E)-3-(2-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one

Formula:C15H10N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H10N2O5
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c(cccc1)c1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C15H10N2O5/c18-15(12-5-8-13(9-6-12)16(19)20)10-7-11-3-1-2-4-14(11)17(21)22/h1-10H
InChIK	FQLPRWRIJKVQBR-UHFFFAOYSA-N
TotalMolweight	298.253
Molweight	298.253
MonoisotopicMass	298.058973
CLogP	1.4606
CLogS	-4.76
H Acceptors	7
TotalSurfaceArea	224.61
Relative PSA	0.32893
PolarSurfaceArea	108.71
Druglikeness	-5.0476
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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