(Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine
Formula:C18H16N6O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine |
| MolecularFormula | C18H16N6O4Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\N(CC1)CCN1/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)cc1)c1Cl)=O |
| InChI | InChI=1S/C18H16Cl2N6O4/c19-15-3-1-13(9-17(15)25(27)28)11-21-23-5-7-24(8-6-23)22-12-14-2-4-16(20)18(10-14)26(29)30/h1-4,9-12H,5-8H2 |
| InChIK | BUMHDHHMVGTQLX-UHFFFAOYSA-N |
| TotalMolweight | 451.269 |
| Molweight | 451.269 |
| MonoisotopicMass | 450.061008 |
| CLogP | 2.6278 |
| CLogS | -5.682 |
| H Acceptors | 10 |
| TotalSurfaceArea | 322.86 |
| Relative PSA | 0.28173 |
| PolarSurfaceArea | 122.84 |
| Druglikeness | 0.013132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 16 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine | 2 - (Z)-1-(4-chloro-3-nitrophenyl)-N-[4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]piperazin-1-yl]methanimine
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