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

Formula:C21H12N2O5BrF Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-bromo-2-[5-[(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	5-bromo-2-[5-[(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12N2O5BrF
Smiles	OC(c(cc(cc1)Br)c1-c1ccc(/C=C(/C(NN2c(cc3)ccc3F)=O)\C2=O)o1)=O
InChI	InChI=1S/C21H12BrFN2O5/c22-11-1-7-15(16(9-11)21(28)29)18-8-6-14(30-18)10-17-19(26)24-25(20(17)27)13-4-2-12(23)3-5-13/h1-10H,(H,24,26)(H,28,29)
InChIK	MVBMRUODWFNGLO-UHFFFAOYSA-N
TotalMolweight	471.237
Molweight	471.237
MonoisotopicMass	469.991362
CLogP	2.5936
CLogS	-5.511
H Acceptors	7
H Donors	2
TotalSurfaceArea	300.02
Relative PSA	0.27112
PolarSurfaceArea	99.85
Druglikeness	1.6863
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
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

Click to Load Molecule:

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

Request More Details | 5-bromo-2-[5-[(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments