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

Formula:C18H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid
MolecularFormula	C18H13N3O7
Smiles	[O-][N+](c(cccc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OCC(O)=O)=O
InChI	InChI=1S/C18H13N3O7/c22-15(23)10-28-16-11(5-4-8-14(16)21(26)27)9-13-17(24)19-20(18(13)25)12-6-2-1-3-7-12/h1-9H,10H2,(H,19,24)(H,22,23)
InChIK	FMIWKWQAGXKQKA-UHFFFAOYSA-N
TotalMolweight	383.315
Molweight	383.315
MonoisotopicMass	383.075352
CLogP	-0.518
CLogS	-3.143
H Acceptors	10
H Donors	2
TotalSurfaceArea	273.02
Relative PSA	0.39429
PolarSurfaceArea	141.76
Druglikeness	-0.92253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
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-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid | 2 - 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid

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