(4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C21H12N5O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C21H12N5O7Cl
Smiles	[O-][N+](c(cc1)cnc1Oc(c(/C=C(/C(NN1c2ccccc2)=O)\C1=O)cc(Cl)c1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C21H12ClN5O7/c22-13-8-12(9-16-20(28)24-25(21(16)29)14-4-2-1-3-5-14)19(17(10-13)27(32)33)34-18-7-6-15(11-23-18)26(30)31/h1-11H,(H,24,28)
InChIK	BXHUYSQQZBOZBM-UHFFFAOYSA-N
TotalMolweight	481.807
Molweight	481.807
MonoisotopicMass	481.042527
CLogP	0.8525
CLogS	-6.573
H Acceptors	12
H Donors	1
TotalSurfaceArea	332.77
Relative PSA	0.36932
PolarSurfaceArea	163.17
Druglikeness	-1.0181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Request More Details | (4Z)-4-[[5-chloro-3-nitro-2-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments