3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one

Formula:C15H10N6O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one is not a drug-like molecule.

MolName	3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one
MolecularFormula	C15H10N6O5
Smiles	[O-][N+](c1ccc(/C=N\N(C(c(cc2)ccc2[N+]([O-])=O)=NN2)C2=O)cc1)=O
InChI	InChI=1S/C15H10N6O5/c22-15-18-17-14(11-3-7-13(8-4-11)21(25)26)19(15)16-9-10-1-5-12(6-2-10)20(23)24/h1-9H,(H,18,22)
InChIK	WQXQQZYSAJQZFY-UHFFFAOYSA-N
TotalMolweight	354.281
Molweight	354.281
MonoisotopicMass	354.071269
CLogP	1.0913
CLogS	-5.287
H Acceptors	11
H Donors	1
TotalSurfaceArea	254.1
Relative PSA	0.44042
PolarSurfaceArea	148.7
Druglikeness	-0.58646
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one | 2 - 3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one

Request More Details | 3-(4-nitrophenyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments