(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile

Formula:C19H19N2OF Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
MolecularFormula	C19H19N2OF
Smiles	N#C/C(/c(cc1)ccc1F)=C/c1ccc(N2CCCCCC2)o1
InChI	InChI=1S/C19H19FN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2
InChIK	WHLNMNIEBYREDM-UHFFFAOYSA-N
TotalMolweight	310.371
Molweight	310.371
MonoisotopicMass	310.148141
CLogP	4.1485
CLogS	-5.412
H Acceptors	3
TotalSurfaceArea	254.84
Relative PSA	0.12251
PolarSurfaceArea	40.17
Druglikeness	-6.3313
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	5
StereoCon

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