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

Formula:C18H10N2O4ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-chloro-2-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	5-chloro-2-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C18H10N2O4ClF3
Smiles	OC(c(cc(cc1)Cl)c1-c1ccc(/C=C/C(C=C(C(F)(F)F)N2)=NC2=O)o1)=O
InChI	InChI=1S/C18H10ClF3N2O4/c19-9-1-5-12(13(7-9)16(25)26)14-6-4-11(28-14)3-2-10-8-15(18(20,21)22)24-17(27)23-10/h1-8H,(H,25,26)(H,23,24,27)
InChIK	RUGITWNGTOERMG-UHFFFAOYSA-N
TotalMolweight	410.734
Molweight	410.734
MonoisotopicMass	410.028119
CLogP	3.7972
CLogS	-6.508
H Acceptors	6
H Donors	2
TotalSurfaceArea	281.58
Relative PSA	0.27083
PolarSurfaceArea	91.9
Druglikeness	-4.2473
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
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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