4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C10H7N6O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName	4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C10H7N6O4Cl
Smiles	Nc1nonc1C(N/N=C/c(cc(cc1)[N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C10H7ClN6O4/c11-7-2-1-6(17(19)20)3-5(7)4-13-14-10(18)8-9(12)16-21-15-8/h1-4H,(H2,12,16)(H,14,18)
InChIK	IGAWAKPIKQHSDD-UHFFFAOYSA-N
TotalMolweight	310.657
Molweight	310.657
MonoisotopicMass	310.021731
CLogP	1.1254
CLogS	-3.785
H Acceptors	10
H Donors	2
TotalSurfaceArea	221.81
Relative PSA	0.53086
PolarSurfaceArea	152.22
Druglikeness	1.1977
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Request More Details | 4-amino-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments