(Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C20H12N2O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C20H12N2O3ClF3
Smiles	N#C/C(/C(NCc1ccco1)=O)=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C20H12ClF3N2O3/c21-17-5-3-13(20(22,23)24)9-16(17)18-6-4-14(29-18)8-12(10-25)19(27)26-11-15-2-1-7-28-15/h1-9H,11H2,(H,26,27)
InChIK	KHOILESHHOIDOD-UHFFFAOYSA-N
TotalMolweight	420.773
Molweight	420.773
MonoisotopicMass	420.048854
CLogP	4.2796
CLogS	-6.242
H Acceptors	5
H Donors	1
TotalSurfaceArea	306.43
Relative PSA	0.2163
PolarSurfaceArea	79.17
Druglikeness	-7.7727
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (Z)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

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