(E)-1-(2-hydroxyphenyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

Formula:C20H12NO5F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(2-hydroxyphenyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-hydroxyphenyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
MolecularFormula	C20H12NO5F3
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1-c1ccc(/C=C/C(c(cccc2)c2O)=O)o1)=O
InChI	InChI=1S/C20H12F3NO5/c21-20(22,23)12-5-8-14(16(11-12)24(27)28)19-10-7-13(29-19)6-9-18(26)15-3-1-2-4-17(15)25/h1-11,25H
InChIK	YGMPRRIWRGHBBR-UHFFFAOYSA-N
TotalMolweight	403.311
Molweight	403.311
MonoisotopicMass	403.066758
CLogP	3.8237
CLogS	-6.242
H Acceptors	6
H Donors	1
TotalSurfaceArea	286.2
Relative PSA	0.24693
PolarSurfaceArea	96.26
Druglikeness	-10.479
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
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	17
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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