(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

Formula:C17H13NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
MolecularFormula	C17H13NO6
Smiles	[O-][N+](c(cc1)cc(C(/C=C/c(cc2)cc3c2OCCO3)=O)c1O)=O
InChI	InChI=1S/C17H13NO6/c19-14(13-10-12(18(21)22)3-5-15(13)20)4-1-11-2-6-16-17(9-11)24-8-7-23-16/h1-6,9-10,20H,7-8H2
InChIK	HHOODMSZEWJBGK-UHFFFAOYSA-N
TotalMolweight	327.291
Molweight	327.291
MonoisotopicMass	327.074289
CLogP	2.0153
CLogS	-4.186
H Acceptors	7
H Donors	1
TotalSurfaceArea	241.31
Relative PSA	0.31727
PolarSurfaceArea	101.58
Druglikeness	-12.027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	1
StereoCon

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