(3E)-3-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one

Formula:C21H11NO2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3E)-3-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is a drug-like molecule.

MolName	(3E)-3-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
MolecularFormula	C21H11NO2F6
Smiles	O=C1Nc(cccc2)c2/C1=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C21H11F6NO2/c22-20(23,24)12-7-11(8-13(9-12)21(25,26)27)18-6-5-14(30-18)10-16-15-3-1-2-4-17(15)28-19(16)29/h1-10H,(H,28,29)
InChIK	JJVFEWBERPCIRF-UHFFFAOYSA-N
TotalMolweight	423.311
Molweight	423.311
MonoisotopicMass	423.069397
CLogP	4.9012
CLogS	-6.385
H Acceptors	3
H Donors	1
TotalSurfaceArea	281.81
Relative PSA	0.13701
PolarSurfaceArea	42.24
Druglikeness	-3.5373
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	8
Amides	1
StereoCon

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