(E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)prop-2-enamide

Formula:C16H11N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)prop-2-enamide
MolecularFormula	C16H11N2O5Cl
Smiles	[O-][N+](c(cc(cc1)NC(/C=C/c(cc2)cc3c2OCO3)=O)c1Cl)=O
InChI	InChI=1S/C16H11ClN2O5/c17-12-4-3-11(8-13(12)19(21)22)18-16(20)6-2-10-1-5-14-15(7-10)24-9-23-14/h1-8H,9H2,(H,18,20)
InChIK	VIVDHNYKGIVNEA-UHFFFAOYSA-N
TotalMolweight	346.725
Molweight	346.725
MonoisotopicMass	346.03565
CLogP	2.9321
CLogS	-5.405
H Acceptors	7
H Donors	1
TotalSurfaceArea	248.08
Relative PSA	0.302
PolarSurfaceArea	93.38
Druglikeness	-5.4395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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