(2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyanobut-3-enamide

Formula:C12H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyanobut-3-enamide is a drug-like molecule.

MolName	(2R)-3-(1,3-benzodioxol-5-ylamino)-2-cyanobut-3-enamide
MolecularFormula	C12H11N3O3
Smiles	C=C([C@@H](C(N)=O)C#N)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C12H11N3O3/c1-7(9(5-13)12(14)16)15-8-2-3-10-11(4-8)18-6-17-10/h2-4,9,15H,1,6H2,(H2,14,16)/t9-/m0/s1
InChIK	BSULRVDZBNUMRF-VIFPVBQESA-N
TotalMolweight	245.237
Molweight	245.237
MonoisotopicMass	245.080042
CLogP	1.0974
CLogS	-3.463
H Acceptors	6
H Donors	2
TotalSurfaceArea	188.21
Relative PSA	0.38962
PolarSurfaceArea	97.37
Druglikeness	-5.0426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
StereoCon	this enantiomer

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