4-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid

Formula:C21H12N2O5ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12N2O5ClF
Smiles	OC(c(cc1)ccc1-c1ccc(/C=C(/C(NN2c(cc3)cc(Cl)c3F)=O)\C2=O)o1)=O
InChI	InChI=1S/C21H12ClFN2O5/c22-16-9-13(5-7-17(16)23)25-20(27)15(19(26)24-25)10-14-6-8-18(30-14)11-1-3-12(4-2-11)21(28)29/h1-10H,(H,24,26)(H,28,29)
InChIK	UIDUKNQMKWGBON-UHFFFAOYSA-N
TotalMolweight	426.786
Molweight	426.786
MonoisotopicMass	426.041878
CLogP	2.4744
CLogS	-5.413
H Acceptors	7
H Donors	2
TotalSurfaceArea	296.81
Relative PSA	0.27405
PolarSurfaceArea	99.85
Druglikeness	3.5278
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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