2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetic acid

Formula:C22H16N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetic acid is a drug-like molecule.

MolName	2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetic acid
MolecularFormula	C22H16N2O5
Smiles	OC(COc1c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2ccccc2cc1)=O
InChI	InChI=1S/C22H16N2O5/c25-20(26)13-29-19-11-10-14-6-4-5-9-16(14)17(19)12-18-21(27)23-24(22(18)28)15-7-2-1-3-8-15/h1-12H,13H2,(H,23,27)(H,25,26)
InChIK	AMCFOHUYOIFYHN-UHFFFAOYSA-N
TotalMolweight	388.378
Molweight	388.378
MonoisotopicMass	388.105923
CLogP	1.598
CLogS	-4.289
H Acceptors	7
H Donors	2
TotalSurfaceArea	283.95
Relative PSA	0.27198
PolarSurfaceArea	95.94
Druglikeness	4.0951
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetic acid | 2 - 2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetic acid

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