1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

Formula:C18H11N10O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C18H11N10O6Cl
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(c([N+]([O-])=O)ccc2)c2Cl)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H11ClN10O6/c19-12-2-1-3-13(29(33)34)11(12)8-21-23-18(30)14-15(9-4-6-10(7-5-9)28(31)32)27(26-22-14)17-16(20)24-35-25-17/h1-8H,(H2,20,24)(H,23,30)
InChIK	OAZZLHOPNGHLJS-UHFFFAOYSA-N
TotalMolweight	498.802
Molweight	498.802
MonoisotopicMass	498.055157
CLogP	2.2084
CLogS	-4.862
H Acceptors	16
H Donors	2
TotalSurfaceArea	351.72
Relative PSA	0.50318
PolarSurfaceArea	228.75
Druglikeness	-3.0594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	17
Electronegative Atoms	17
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chloro-6-nitrophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments