(Z)-1-(3-nitrophenyl)-N-[[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine
Formula:C22H18N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-nitrophenyl)-N-[[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-nitrophenyl)-N-[[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine |
| MolecularFormula | C22H18N4O6 |
| Smiles | [O-][N+](c1cccc(/C=N\OCc2ccc(CO/N=C\c3cccc([N+]([O-])=O)c3)cc2)c1)=O |
| InChI | InChI=1S/C22H18N4O6/c27-25(28)21-5-1-3-19(11-21)13-23-31-15-17-7-9-18(10-8-17)16-32-24-14-20-4-2-6-22(12-20)26(29)30/h1-14H,15-16H2 |
| InChIK | SDWMBQQPYWTEEY-UHFFFAOYSA-N |
| TotalMolweight | 434.407 |
| Molweight | 434.407 |
| MonoisotopicMass | 434.122636 |
| CLogP | 4.1686 |
| CLogS | -6.588 |
| H Acceptors | 10 |
| TotalSurfaceArea | 337.16 |
| Relative PSA | 0.30804 |
| PolarSurfaceArea | 134.82 |
| Druglikeness | -5.1488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (Z)-1-(3-nitrophenyl)-N-[[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine | 2 - (Z)-1-(3-nitrophenyl)-N-[[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]methoxy]methanimine
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