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

Formula:C22H11NO2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-benzoyl-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-benzoyl-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C22H11NO2F6
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C22H11F6NO2/c23-21(24,25)16-8-14(9-17(11-16)22(26,27)28)19-7-6-18(31-19)10-15(12-29)20(30)13-4-2-1-3-5-13/h1-11H
InChIK	KEGJRKVSQXSGPN-UHFFFAOYSA-N
TotalMolweight	435.322
Molweight	435.322
MonoisotopicMass	435.069397
CLogP	5.7913
CLogS	-7.128
H Acceptors	3
TotalSurfaceArea	305.56
Relative PSA	0.13323
PolarSurfaceArea	54
Druglikeness	-9.7635
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	10
StereoCon

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