(E)-2-(4-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

Formula:C17H15N2O2F Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-2-(4-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-fluorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
MolecularFormula	C17H15N2O2F
Smiles	N#C/C(/c(cc1)ccc1F)=C/c1ccc(N2CCOCC2)o1
InChI	InChI=1S/C17H15FN2O2/c18-15-3-1-13(2-4-15)14(12-19)11-16-5-6-17(22-16)20-7-9-21-10-8-20/h1-6,11H,7-10H2
InChIK	QFHYPLYEWVVEAQ-UHFFFAOYSA-N
TotalMolweight	298.316
Molweight	298.316
MonoisotopicMass	298.111756
CLogP	2.6425
CLogS	-4.253
H Acceptors	4
TotalSurfaceArea	237.32
Relative PSA	0.17369
PolarSurfaceArea	49.4
Druglikeness	-2.9691
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
StereoCon

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