4-nitro-N-[(Z)-[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butylidene]amino]aniline
Formula:C16H16N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butylidene]amino]aniline is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butylidene]amino]aniline |
| MolecularFormula | C16H16N6O4 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\CC/C=N\Nc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C16H16N6O4/c23-21(24)15-7-3-13(4-8-15)19-17-11-1-2-12-18-20-14-5-9-16(10-6-14)22(25)26/h3-12,19-20H,1-2H2 |
| InChIK | QSPHYLMQHVNGHM-UHFFFAOYSA-N |
| TotalMolweight | 356.341 |
| Molweight | 356.341 |
| MonoisotopicMass | 356.123304 |
| CLogP | 4.2608 |
| CLogS | -4.278 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 280.32 |
| Relative PSA | 0.38092 |
| PolarSurfaceArea | 140.42 |
| Druglikeness | -4.3413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 15 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-nitro-N-[(Z)-[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butylidene]amino]aniline | 2 - 4-nitro-N-[(Z)-[(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butylidene]amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off