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

Formula:C18H14N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]acetamide is a drug-like molecule.

MolName	2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]acetamide
MolecularFormula	C18H14N4O6
Smiles	NC(COc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1[N+]([O-])=O)=O
InChI	InChI=1S/C18H14N4O6/c19-16(23)10-28-15-7-6-13(22(26)27)8-11(15)9-14-17(24)20-21(18(14)25)12-4-2-1-3-5-12/h1-9H,10H2,(H2,19,23)(H,20,24)
InChIK	SLBKKMBEEPXSBT-UHFFFAOYSA-N
TotalMolweight	382.331
Molweight	382.331
MonoisotopicMass	382.091336
CLogP	-0.9158
CLogS	-3.219
H Acceptors	10
H Donors	2
TotalSurfaceArea	275.19
Relative PSA	0.39907
PolarSurfaceArea	147.55
Druglikeness	-0.66243
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	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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