4-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular Formula : C12H8N4O6 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
MolecularFormula : C12H8N4O6 |
Smiles : [O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)o1)=O |
InChI : InChI=1S/C12H8N4O6/c17-12(8-1-3-9(4-2-8)15(18)19)14-13-7-10-5-6-11(22-10)16(20)21/h1-7H,(H,14,17) |
InChIK : MOSZCGRZQAPLQB-UHFFFAOYSA-N |
TotalMolweight : 304.218 |
Molweight : 304.218 |
MonoisotopicMass : 304.044386 |
CLogP : 0.8985 |
CLogS : -4.848 |
H Acceptors : 10 |
H Donors : 1 |
TotalSurfaceArea : 224.02 |
Relative PSA : 0.49531 |
PolarSurfaceArea : 146.24 |
Druglikeness : 3.0702 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |