[2-(4-cyanoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C16H12N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(4-cyanoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-cyanoanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C16H12N2O4
Smiles	N#Cc(cc1)ccc1NC(COC(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C16H12N2O4/c17-10-12-3-5-13(6-4-12)18-15(19)11-22-16(20)8-7-14-2-1-9-21-14/h1-9H,11H2,(H,18,19)
InChIK	VBBZCBGWZPSFMU-UHFFFAOYSA-N
TotalMolweight	296.281
Molweight	296.281
MonoisotopicMass	296.079708
CLogP	1.7185
CLogS	-3.856
H Acceptors	6
H Donors	1
TotalSurfaceArea	241.64
Relative PSA	0.31125
PolarSurfaceArea	92.33
Druglikeness	-4.1043
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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