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

Formula:C28H20N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid is a drug-like molecule.

MolName	4-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid
MolecularFormula	C28H20N2O5
Smiles	OC(c1ccc(COc2c(/C=C(/C(NN3c4ccccc4)=O)\C3=O)c3ccccc3cc2)cc1)=O
InChI	InChI=1S/C28H20N2O5/c31-26-24(27(32)30(29-26)21-7-2-1-3-8-21)16-23-22-9-5-4-6-19(22)14-15-25(23)35-17-18-10-12-20(13-11-18)28(33)34/h1-16H,17H2,(H,29,31)(H,33,34)
InChIK	DJDYUYURLSAVHO-UHFFFAOYSA-N
TotalMolweight	464.476
Molweight	464.476
MonoisotopicMass	464.137223
CLogP	3.3712
CLogS	-5.85
H Acceptors	7
H Donors	2
TotalSurfaceArea	343.71
Relative PSA	0.2247
PolarSurfaceArea	95.94
Druglikeness	3.7152
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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