(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Formula:C19H14N2O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
MolecularFormula	C19H14N2O4F2
Smiles	N#C/C(/C(Nc(cc1)cc2c1OCCO2)=O)=C\c(cc1)ccc1OC(F)F
InChI	InChI=1S/C19H14F2N2O4/c20-19(21)27-15-4-1-12(2-5-15)9-13(11-22)18(24)23-14-3-6-16-17(10-14)26-8-7-25-16/h1-6,9-10,19H,7-8H2,(H,23,24)
InChIK	APHTVNUJRNZFQL-UHFFFAOYSA-N
TotalMolweight	372.326
Molweight	372.326
MonoisotopicMass	372.092164
CLogP	3.1365
CLogS	-4.574
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.87
Relative PSA	0.24493
PolarSurfaceArea	80.58
Druglikeness	-11.619
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	1
StereoCon

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