3-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
Formula:C13H10N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline |
| MolecularFormula | C13H10N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2cccc([N+]([O-])=O)c2)cc1)=O |
| InChI | InChI=1S/C13H10N4O4/c18-16(19)12-6-4-10(5-7-12)9-14-15-11-2-1-3-13(8-11)17(20)21/h1-9,15H |
| InChIK | BMWLFNZQVYELBU-UHFFFAOYSA-N |
| TotalMolweight | 286.246 |
| Molweight | 286.246 |
| MonoisotopicMass | 286.070206 |
| CLogP | 2.9977 |
| CLogS | -4.069 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 216.58 |
| Relative PSA | 0.38697 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline | 2 - 3-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off