4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular Formula : C12H10N4O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
MolecularFormula : C12H10N4O4 |
Smiles : Nc(cc1)ccc1C(N/N=C\c1ccc([N+]([O-])=O)o1)=O |
InChI : InChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17) |
InChIK : OKFBAMVVJFGBDA-UHFFFAOYSA-N |
TotalMolweight : 274.235 |
Molweight : 274.235 |
MonoisotopicMass : 274.070206 |
CLogP : 1.1428 |
CLogS : -4.464 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 208.87 |
Relative PSA : 0.45871 |
PolarSurfaceArea : 126.44 |
Druglikeness : 3.0371 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amines : 1 |
Aromatic Amines : 1 |
AcidicOxygens : 1 |
StereoCon : |