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

Formula:C21H12N3OF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H12N3OF3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c2c(C(F)(F)F)cccc2)o1
InChI	InChI=1S/C21H12F3N3O/c22-21(23,24)16-6-2-1-5-15(16)19-10-9-14(28-19)11-13(12-25)20-26-17-7-3-4-8-18(17)27-20/h1-11H,(H,26,27)
InChIK	WACAODCDIQFUDJ-UHFFFAOYSA-N
TotalMolweight	379.34
Molweight	379.34
MonoisotopicMass	379.093246
CLogP	4.6089
CLogS	-5.362
H Acceptors	4
H Donors	1
TotalSurfaceArea	281.28
Relative PSA	0.18711
PolarSurfaceArea	65.61
Druglikeness	-9.7575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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