(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide

Formula:C16H13N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(2-hydroxyethyl)prop-2-enamide
MolecularFormula	C16H13N2O3Cl
Smiles	N#C/C(/C(NCCO)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C16H13ClN2O3/c17-13-3-1-11(2-4-13)15-6-5-14(22-15)9-12(10-18)16(21)19-7-8-20/h1-6,9,20H,7-8H2,(H,19,21)
InChIK	SYWNOQDDLUDTJH-UHFFFAOYSA-N
TotalMolweight	316.743
Molweight	316.743
MonoisotopicMass	316.06147
CLogP	2.3041
CLogS	-4.252
H Acceptors	5
H Donors	2
TotalSurfaceArea	247.63
Relative PSA	0.26358
PolarSurfaceArea	86.26
Druglikeness	-0.19838
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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