(Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C20H9NOCl3F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C20H9NOCl3F3
Smiles	N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C20H9Cl3F3NO/c21-13-2-4-15(18(23)9-13)11(10-27)7-14-3-6-19(28-14)16-8-12(20(24,25)26)1-5-17(16)22/h1-9H
InChIK	PVBGYDRYPAWVSZ-UHFFFAOYSA-N
TotalMolweight	442.65
Molweight	442.65
MonoisotopicMass	440.970179
CLogP	6.9378
CLogS	-8.075
H Acceptors	2
TotalSurfaceArea	304.61
Relative PSA	0.090837
PolarSurfaceArea	36.93
Druglikeness	-10.683
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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1 - (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile | 2 - (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile

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