(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C16H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C16H15N2O4Br
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C16H15BrN2O4/c17-13-6-15-14(22-9-23-15)5-10(13)4-11(7-18)16(20)19-8-12-2-1-3-21-12/h4-6,12H,1-3,8-9H2,(H,19,20)/t12-/m1/s1
InChIK	APRXORKCNSEWGN-GFCCVEGCSA-N
TotalMolweight	379.209
Molweight	379.209
MonoisotopicMass	378.021519
CLogP	2.416
CLogS	-4.493
H Acceptors	6
H Donors	1
TotalSurfaceArea	251.82
Relative PSA	0.27027
PolarSurfaceArea	80.58
Druglikeness	-4.3719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Amides	1
StereoCon	racemate

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