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

Formula:C10H6N6O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-amino-N-[(E)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is a drug-like molecule.

MolName	4-amino-N-[(E)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C10H6N6O4Cl2
Smiles	Nc1nonc1C(N/N=C/c(c(Cl)c1)cc([N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C10H6Cl2N6O4/c11-5-2-6(12)7(18(20)21)1-4(5)3-14-15-10(19)8-9(13)17-22-16-8/h1-3H,(H2,13,17)(H,15,19)
InChIK	UYCCUBBNTMSJPC-UHFFFAOYSA-N
TotalMolweight	345.102
Molweight	345.102
MonoisotopicMass	343.982758
CLogP	1.7314
CLogS	-4.521
H Acceptors	10
H Donors	2
TotalSurfaceArea	237.23
Relative PSA	0.49635
PolarSurfaceArea	152.22
Druglikeness	1.1977
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	12
Electronegative Atoms	12
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)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(E)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments