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

Formula:C15H7NOF6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C15H7NOF6
Smiles	N#C/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C15H7F6NO/c16-14(17,18)10-6-9(7-11(8-10)15(19,20)21)13-4-3-12(23-13)2-1-5-22/h1-4,6-8H
InChIK	QOOXKGVZACWCAL-UHFFFAOYSA-N
TotalMolweight	331.215
Molweight	331.215
MonoisotopicMass	331.043182
CLogP	4.6313
CLogS	-5.688
H Acceptors	2
TotalSurfaceArea	229.84
Relative PSA	0.12039
PolarSurfaceArea	36.93
Druglikeness	-10.817
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	8
StereoCon

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