4-[[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid

Formula:C24H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid
MolecularFormula	C24H17N3O7
Smiles	[O-][N+](c(cccc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OCc(cc1)ccc1C(O)=O)=O
InChI	InChI=1S/C24H17N3O7/c28-22-19(23(29)26(25-22)18-6-2-1-3-7-18)13-17-5-4-8-20(27(32)33)21(17)34-14-15-9-11-16(12-10-15)24(30)31/h1-13H,14H2,(H,25,28)(H,30,31)
InChIK	PLMHEFKRCBTJMB-UHFFFAOYSA-N
TotalMolweight	459.413
Molweight	459.413
MonoisotopicMass	459.106652
CLogP	1.2552
CLogS	-4.704
H Acceptors	10
H Donors	2
TotalSurfaceArea	332.78
Relative PSA	0.32349
PolarSurfaceArea	141.76
Druglikeness	-1.315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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