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

Formula:C20H10NOCl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(2,4-dichlorophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(2,4-dichlorophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H10NOCl2F3
Smiles	N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C20H10Cl2F3NO/c21-15-4-6-17(18(22)10-15)13(11-26)9-16-5-7-19(27-16)12-2-1-3-14(8-12)20(23,24)25/h1-10H
InChIK	ZQUXTOOGPNAWTO-UHFFFAOYSA-N
TotalMolweight	408.205
Molweight	408.205
MonoisotopicMass	407.009152
CLogP	6.3318
CLogS	-7.339
H Acceptors	2
TotalSurfaceArea	289.19
Relative PSA	0.095681
PolarSurfaceArea	36.93
Druglikeness	-10.683
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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