2-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoic acid

Formula:C18H11N2O4F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C18H11N2O4F3
Smiles	OC(c(cccc1)c1-c1ccc(/C=C/C(C=C(C(F)(F)F)N2)=NC2=O)o1)=O
InChI	InChI=1S/C18H11F3N2O4/c19-18(20,21)15-9-10(22-17(26)23-15)5-6-11-7-8-14(27-11)12-3-1-2-4-13(12)16(24)25/h1-9H,(H,24,25)(H,22,23,26)
InChIK	VGIXFCSVXBCUBQ-UHFFFAOYSA-N
TotalMolweight	376.289
Molweight	376.289
MonoisotopicMass	376.067092
CLogP	3.1912
CLogS	-5.772
H Acceptors	6
H Donors	2
TotalSurfaceArea	266.16
Relative PSA	0.28652
PolarSurfaceArea	91.9
Druglikeness	-4.3217
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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