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

Formula:C15H11NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3,4-dihydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3,4-dihydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H11NO5
Smiles	[O-][N+](c1ccc(/C=C/C(c(cc2)cc(O)c2O)=O)cc1)=O
InChI	InChI=1S/C15H11NO5/c17-13(11-4-8-14(18)15(19)9-11)7-3-10-1-5-12(6-2-10)16(20)21/h1-9,18-19H
InChIK	CUEWOYAEVHHUTJ-UHFFFAOYSA-N
TotalMolweight	285.254
Molweight	285.254
MonoisotopicMass	285.063724
CLogP	1.6908
CLogS	-3.708
H Acceptors	6
H Donors	2
TotalSurfaceArea	213.64
Relative PSA	0.32606
PolarSurfaceArea	103.35
Druglikeness	-5.005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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