2-(chloromethyl)-2-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]-1,3-dioxolane

Formula:C16H16NO4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(chloromethyl)-2-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]-1,3-dioxolane is a drug-like molecule.

MolName	2-(chloromethyl)-2-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]-1,3-dioxolane
MolecularFormula	C16H16NO4Cl
Smiles	[O-][N+](c1ccc(/C=C/C=C/C=C/C2(CCl)OCCO2)cc1)=O
InChI	InChI=1S/C16H16ClNO4/c17-13-16(21-11-12-22-16)10-4-2-1-3-5-14-6-8-15(9-7-14)18(19)20/h1-10H,11-13H2
InChIK	NDUGZUSXFOTXIT-UHFFFAOYSA-N
TotalMolweight	321.759
Molweight	321.759
MonoisotopicMass	321.076786
CLogP	2.8665
CLogS	-3.965
H Acceptors	5
TotalSurfaceArea	250.04
Relative PSA	0.20165
PolarSurfaceArea	64.28
Druglikeness	-12.788
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - 2-(chloromethyl)-2-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]-1,3-dioxolane | 2 - 2-(chloromethyl)-2-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]-1,3-dioxolane

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