(E)-2-(1H-benzimidazol-2-yl)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Formula:C22H11N3OF6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C22H11N3OF6
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C22H11F6N3O/c23-21(24,25)14-7-12(8-15(10-14)22(26,27)28)19-6-5-16(32-19)9-13(11-29)20-30-17-3-1-2-4-18(17)31-20/h1-10H,(H,30,31)
InChIK	MNIJPJXPXYAROB-UHFFFAOYSA-N
TotalMolweight	447.337
Molweight	447.337
MonoisotopicMass	447.08063
CLogP	5.4572
CLogS	-6.14
H Acceptors	4
H Donors	1
TotalSurfaceArea	310.74
Relative PSA	0.16937
PolarSurfaceArea	65.61
Druglikeness	-9.7575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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