(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Formula:C18H13NO6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C18H13NO6Cl2
Smiles	[O-][N+](c1cc(COC(/C=C/c(cc2)cc(Cl)c2Cl)=O)c2OCOCc2c1)=O
InChI	InChI=1S/C18H13Cl2NO6/c19-15-3-1-11(5-16(15)20)2-4-17(22)26-9-13-7-14(21(23)24)6-12-8-25-10-27-18(12)13/h1-7H,8-10H2
InChIK	PTSDPISQWYKAKG-UHFFFAOYSA-N
TotalMolweight	410.208
Molweight	410.208
MonoisotopicMass	409.011993
CLogP	3.1052
CLogS	-6.087
H Acceptors	7
TotalSurfaceArea	289.56
Relative PSA	0.2537
PolarSurfaceArea	90.58
Druglikeness	-8.0064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
AcidicOxygens	1
StereoCon

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