(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide

Formula:C11H7N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
MolecularFormula	C11H7N2O3Br
Smiles	NC(/C(/C#N)=C/c1cc(Br)c2OCOc2c1)=O
InChI	InChI=1S/C11H7BrN2O3/c12-8-2-6(1-7(4-13)11(14)15)3-9-10(8)17-5-16-9/h1-3H,5H2,(H2,14,15)
InChIK	RMQTUWZJEJXYQY-UHFFFAOYSA-N
TotalMolweight	295.092
Molweight	295.092
MonoisotopicMass	293.964004
CLogP	1.7647
CLogS	-3.892
H Acceptors	5
H Donors	1
TotalSurfaceArea	184.84
Relative PSA	0.33472
PolarSurfaceArea	85.34
Druglikeness	-5.0015
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
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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