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

Formula:C18H12N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid
MolecularFormula	C18H12N3O7Cl
Smiles	[O-][N+](c1cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc(Cl)c1OCC(O)=O)=O
InChI	InChI=1S/C18H12ClN3O7/c19-13-7-10(8-14(22(27)28)16(13)29-9-15(23)24)6-12-17(25)20-21(18(12)26)11-4-2-1-3-5-11/h1-8H,9H2,(H,20,25)(H,23,24)
InChIK	SNMISXJIVCJRPJ-UHFFFAOYSA-N
TotalMolweight	417.76
Molweight	417.76
MonoisotopicMass	417.036379
CLogP	0.088
CLogS	-3.879
H Acceptors	10
H Donors	2
TotalSurfaceArea	288.44
Relative PSA	0.37321
PolarSurfaceArea	141.76
Druglikeness	-0.85767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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

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