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

Formula:C24H15N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzonitrile
MolecularFormula	C24H15N4O5Cl
Smiles	N#Cc1c(COc(c([N+]([O-])=O)cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2)c2Cl)cccc1
InChI	InChI=1S/C24H15ClN4O5/c25-20-11-15(10-19-23(30)27-28(24(19)31)18-8-2-1-3-9-18)12-21(29(32)33)22(20)34-14-17-7-5-4-6-16(17)13-26/h1-12H,14H2,(H,27,30)
InChIK	WIRXAXGGERRRML-UHFFFAOYSA-N
TotalMolweight	474.859
Molweight	474.859
MonoisotopicMass	474.073098
CLogP	2.2117
CLogS	-6.2
H Acceptors	9
H Donors	1
TotalSurfaceArea	345.81
Relative PSA	0.27492
PolarSurfaceArea	128.25
Druglikeness	-5.485
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	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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

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