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

Formula:C11H8N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
MolecularFormula	C11H8N2O3
Smiles	NC(/C(/C#N)=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C11H8N2O3/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H2,13,14)
InChIK	CBMXFPHUADQWJW-UHFFFAOYSA-N
TotalMolweight	216.196
Molweight	216.196
MonoisotopicMass	216.053493
CLogP	1.0395
CLogS	-3.058
H Acceptors	5
H Donors	1
TotalSurfaceArea	166.21
Relative PSA	0.37224
PolarSurfaceArea	85.34
Druglikeness	-3.2115
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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