(E)-3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Formula:C12H12N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-hydroxy-1,2-oxazolidin-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C12H12N2O5
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/N(C1)OCC1O)=O)=O
InChI	InChI=1S/C12H12N2O5/c15-11-7-13(19-8-11)6-5-12(16)9-1-3-10(4-2-9)14(17)18/h1-6,11,15H,7-8H2/t11-/m1/s1
InChIK	WUMUPUMRGYEAQT-LLVKDONJSA-N
TotalMolweight	264.236
Molweight	264.236
MonoisotopicMass	264.074623
CLogP	-0.8554
CLogS	-2.538
H Acceptors	7
H Donors	1
TotalSurfaceArea	194.35
Relative PSA	0.36074
PolarSurfaceArea	95.59
Druglikeness	-1.5156
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon	racemate

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