4-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C24H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H17N2O5Br
Smiles	OC(c1ccc(COc(ccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2)c2Br)cc1)=O
InChI	InChI=1S/C24H17BrN2O5/c25-20-13-16(8-11-21(20)32-14-15-6-9-17(10-7-15)24(30)31)12-19-22(28)26-27(23(19)29)18-4-2-1-3-5-18/h1-13H,14H2,(H,26,28)(H,30,31)
InChIK	KNPPUPNRWQGLBX-UHFFFAOYSA-N
TotalMolweight	493.312
Molweight	493.312
MonoisotopicMass	492.032084
CLogP	2.902
CLogS	-5.078
H Acceptors	7
H Donors	2
TotalSurfaceArea	327.74
Relative PSA	0.23564
PolarSurfaceArea	95.94
Druglikeness	1.9252
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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