4-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Formula:C11H8N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	4-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C11H8N6O5
Smiles	[O-][N+](c1c(C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)[nH]nc1)=O
InChI	InChI=1S/C11H8N6O5/c18-11(10-9(17(21)22)6-13-14-10)15-12-5-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,13,14)(H,15,18)
InChIK	ZDUJCVYPPTVGEC-UHFFFAOYSA-N
TotalMolweight	304.222
Molweight	304.222
MonoisotopicMass	304.055619
CLogP	-0.694
CLogS	-3.238
H Acceptors	11
H Donors	2
TotalSurfaceArea	222.66
Relative PSA	0.54707
PolarSurfaceArea	161.78
Druglikeness	0.19335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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