(Z)-1-(2-nitrophenyl)-N-[4-[(Z)-(2-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine
Formula:C18H18N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-nitrophenyl)-N-[4-[(Z)-(2-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-nitrophenyl)-N-[4-[(Z)-(2-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine |
| MolecularFormula | C18H18N6O4 |
| Smiles | [O-][N+](c1c(/C=N\N(CC2)CCN2/N=C\c(cccc2)c2[N+]([O-])=O)cccc1)=O |
| InChI | InChI=1S/C18H18N6O4/c25-23(26)17-7-3-1-5-15(17)13-19-21-9-11-22(12-10-21)20-14-16-6-2-4-8-18(16)24(27)28/h1-8,13-14H,9-12H2 |
| InChIK | CHNMAMGSTBEHGQ-UHFFFAOYSA-N |
| TotalMolweight | 382.379 |
| Molweight | 382.379 |
| MonoisotopicMass | 382.138954 |
| CLogP | 1.4158 |
| CLogS | -4.21 |
| H Acceptors | 10 |
| TotalSurfaceArea | 292.02 |
| Relative PSA | 0.31149 |
| PolarSurfaceArea | 122.84 |
| Druglikeness | 0.025521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 15 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-nitrophenyl)-N-[4-[(Z)-(2-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine | 2 - (Z)-1-(2-nitrophenyl)-N-[4-[(Z)-(2-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off