(E)-2-cyano-3-(furan-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C13H14N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(furan-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(furan-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C13H14N2O3
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c1ccco1
InChI	InChI=1S/C13H14N2O3/c14-8-10(7-11-3-1-5-17-11)13(16)15-9-12-4-2-6-18-12/h1,3,5,7,12H,2,4,6,9H2,(H,15,16)/t12-/m1/s1
InChIK	VOKPOWPYVFWWJL-GFCCVEGCSA-N
TotalMolweight	246.265
Molweight	246.265
MonoisotopicMass	246.100443
CLogP	0.7681
CLogS	-2.63
H Acceptors	5
H Donors	1
TotalSurfaceArea	202.62
Relative PSA	0.30683
PolarSurfaceArea	75.26
Druglikeness	-2.792
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	1
StereoCon	racemate

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