3-nitro-N-[(Z)-[3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline
Formula:C20H16N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-[3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H16N6O4 |
| Smiles | [O-][N+](c1cccc(N/N=C\c2cccc(/C=N\Nc3cccc([N+]([O-])=O)c3)c2)c1)=O |
| InChI | InChI=1S/C20H16N6O4/c27-25(28)19-8-2-6-17(11-19)23-21-13-15-4-1-5-16(10-15)14-22-24-18-7-3-9-20(12-18)26(29)30/h1-14,23-24H |
| InChIK | FASGHRCBFKADDI-UHFFFAOYSA-N |
| TotalMolweight | 404.385 |
| Molweight | 404.385 |
| MonoisotopicMass | 404.123304 |
| CLogP | 6.179 |
| CLogS | -5.602 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 312.56 |
| Relative PSA | 0.34163 |
| PolarSurfaceArea | 140.42 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-N-[(Z)-[3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline | 2 - 3-nitro-N-[(Z)-[3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenyl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off