[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Formula:C19H15NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(4-nitrophenyl)prop-2-enoate
MolecularFormula	C19H15NO6
Smiles	[O-][N+](c1ccc(/C=C/C(OC/C=C/c(cc2)cc3c2OCO3)=O)cc1)=O
InChI	InChI=1S/C19H15NO6/c21-19(10-6-14-3-7-16(8-4-14)20(22)23)24-11-1-2-15-5-9-17-18(12-15)26-13-25-17/h1-10,12H,11,13H2
InChIK	PKSXVFIYWMFYCN-UHFFFAOYSA-N
TotalMolweight	353.329
Molweight	353.329
MonoisotopicMass	353.089939
CLogP	3.2709
CLogS	-5.138
H Acceptors	7
TotalSurfaceArea	271.46
Relative PSA	0.27061
PolarSurfaceArea	90.58
Druglikeness	-8.1346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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