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

Formula:C22H17N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetamide is a drug-like molecule.

MolName	2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxyacetamide
MolecularFormula	C22H17N3O4
Smiles	NC(COc1c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2ccccc2cc1)=O
InChI	InChI=1S/C22H17N3O4/c23-20(26)13-29-19-11-10-14-6-4-5-9-16(14)17(19)12-18-21(27)24-25(22(18)28)15-7-2-1-3-8-15/h1-12H,13H2,(H2,23,26)(H,24,27)
InChIK	JCEJNDZSNMJQNL-UHFFFAOYSA-N
TotalMolweight	387.394
Molweight	387.394
MonoisotopicMass	387.121907
CLogP	1.2002
CLogS	-4.365
H Acceptors	7
H Donors	2
TotalSurfaceArea	286.12
Relative PSA	0.27751
PolarSurfaceArea	101.73
Druglikeness	4.3781
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	2
Symmetricatoms	2
Amides	1
StereoCon

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