(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide

Formula:C11H7N2O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
MolecularFormula	C11H7N2O3Cl
Smiles	NC(/C(/C#N)=C/c(cc1OCOc1c1)c1Cl)=O
InChI	InChI=1S/C11H7ClN2O3/c12-8-3-10-9(16-5-17-10)2-6(8)1-7(4-13)11(14)15/h1-3H,5H2,(H2,14,15)
InChIK	ZUXYRWRICPAUAS-UHFFFAOYSA-N
TotalMolweight	250.641
Molweight	250.641
MonoisotopicMass	250.01452
CLogP	1.6455
CLogS	-3.794
H Acceptors	5
H Donors	1
TotalSurfaceArea	181.63
Relative PSA	0.34064
PolarSurfaceArea	85.34
Druglikeness	-3.1265
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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