[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Formula:C16H18N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C16H18N2O6
Smiles	[O-][N+](c1cc(/C=C/C(OCC(NCC2OCCC2)=O)=O)ccc1)=O
InChI	InChI=1S/C16H18N2O6/c19-15(17-10-14-5-2-8-23-14)11-24-16(20)7-6-12-3-1-4-13(9-12)18(21)22/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,17,19)/t14-/m1/s1
InChIK	CYUTXTKHSHFMAP-CQSZACIVSA-N
TotalMolweight	334.327
Molweight	334.327
MonoisotopicMass	334.116488
CLogP	0.3637
CLogS	-3.039
H Acceptors	8
H Donors	1
TotalSurfaceArea	258.19
Relative PSA	0.34068
PolarSurfaceArea	110.45
Druglikeness	-5.3804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Amides	1
AcidicOxygens	1
StereoCon	racemate

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