(Z)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]methanimine

Formula:C16H13N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]methanimine is a drug-like molecule.

MolName	(Z)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]methanimine
MolecularFormula	C16H13N2O5Cl
Smiles	[O-][N+](c1cc(CO/N=C\c(cccc2)c2Cl)c2OCOCc2c1)=O
InChI	InChI=1S/C16H13ClN2O5/c17-15-4-2-1-3-11(15)7-18-24-9-13-6-14(19(20)21)5-12-8-22-10-23-16(12)13/h1-7H,8-10H2
InChIK	IJBUCYKZQYMMOF-UHFFFAOYSA-N
TotalMolweight	348.741
Molweight	348.741
MonoisotopicMass	348.0513
CLogP	3.015
CLogS	-5.543
H Acceptors	7
TotalSurfaceArea	254.65
Relative PSA	0.28247
PolarSurfaceArea	85.87
Druglikeness	-5.1202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
AcidicOxygens	1
StereoCon

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