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

Formula:C24H16N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid
MolecularFormula	C24H16N3O7Cl
Smiles	[O-][N+](c(cc(cc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)Cl)c1OCc1cc(C(O)=O)ccc1)=O
InChI	InChI=1S/C24H16ClN3O7/c25-17-10-16(11-19-22(29)26-27(23(19)30)18-7-2-1-3-8-18)21(20(12-17)28(33)34)35-13-14-5-4-6-15(9-14)24(31)32/h1-12H,13H2,(H,26,29)(H,31,32)
InChIK	QDQABOKYANXUSB-UHFFFAOYSA-N
TotalMolweight	493.858
Molweight	493.858
MonoisotopicMass	493.067679
CLogP	1.8612
CLogS	-5.44
H Acceptors	10
H Donors	2
TotalSurfaceArea	348.2
Relative PSA	0.30916
PolarSurfaceArea	141.76
Druglikeness	-1.2493
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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

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