(4E)-4-[(3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid

Formula:C21H14N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid is a drug-like molecule.

MolName	(4E)-4-[(3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
MolecularFormula	C21H14N4O6
Smiles	OC(C(C(/C=C(\C(C(O)=O)=NN1c2ccccc2)/C1=O)C1=O)=NN1c1ccccc1)=O
InChI	InChI=1S/C21H14N4O6/c26-18-14(16(20(28)29)22-24(18)12-7-3-1-4-8-12)11-15-17(21(30)31)23-25(19(15)27)13-9-5-2-6-10-13/h1-11,14H,(H,28,29)(H,30,31)/t14-/m0/s1
InChIK	SUNPFJQXTKZFCI-AWEZNQCLSA-N
TotalMolweight	418.364
Molweight	418.364
MonoisotopicMass	418.091336
CLogP	1.0035
CLogS	-2.378
H Acceptors	10
H Donors	2
TotalSurfaceArea	293.47
Relative PSA	0.36965
PolarSurfaceArea	139.94
Druglikeness	4.3378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	2
StereoCon	racemate

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