3-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Formula:C24H12N3O6F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid is a drug-like molecule.

MolName	3-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
MolecularFormula	C24H12N3O6F3
Smiles	OC(c1cccc(N(C2=O)N=C(C(F)(F)F)/C2=C/c2ccc(-c(cc3)cc(C(N4)=O)c3C4=O)o2)c1)=O
InChI	InChI=1S/C24H12F3N3O6/c25-24(26,27)19-17(22(33)30(29-19)13-3-1-2-12(8-13)23(34)35)10-14-5-7-18(36-14)11-4-6-15-16(9-11)21(32)28-20(15)31/h1-10H,(H,34,35)(H,28,31,32)
InChIK	FTZMIOIQSVMBPP-UHFFFAOYSA-N
TotalMolweight	495.368
Molweight	495.368
MonoisotopicMass	495.067821
CLogP	3.5532
CLogS	-6.021
H Acceptors	9
H Donors	2
TotalSurfaceArea	331.72
Relative PSA	0.31921
PolarSurfaceArea	129.28
Druglikeness	-5.7501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 3-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid | 2 - 3-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

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