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

Formula:C20H12N3OF Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H12N3OF
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C20H12FN3O/c21-15-7-5-13(6-8-15)19-10-9-16(25-19)11-14(12-22)20-23-17-3-1-2-4-18(17)24-20/h1-11H,(H,23,24)
InChIK	GAEAPPLTNUXPCJ-UHFFFAOYSA-N
TotalMolweight	329.333
Molweight	329.333
MonoisotopicMass	329.09644
CLogP	3.8614
CLogS	-4.898
H Acceptors	4
H Donors	1
TotalSurfaceArea	258.17
Relative PSA	0.20386
PolarSurfaceArea	65.61
Druglikeness	-3.9075
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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