(Z)-1-[5-(3-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]methanimine
Formula:C22H14N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-[5-(3-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-(3-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]methanimine |
| MolecularFormula | C22H14N4O6 |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\N=C/c3ccc(-c4cccc([N+]([O-])=O)c4)o3)o2)c1)=O |
| InChI | InChI=1S/C22H14N4O6/c27-25(28)17-5-1-3-15(11-17)21-9-7-19(31-21)13-23-24-14-20-8-10-22(32-20)16-4-2-6-18(12-16)26(29)30/h1-14H |
| InChIK | MLPYVDXMRMVWOG-UHFFFAOYSA-N |
| TotalMolweight | 430.375 |
| Molweight | 430.375 |
| MonoisotopicMass | 430.091336 |
| CLogP | 4.8202 |
| CLogS | -7.972 |
| H Acceptors | 10 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.3409 |
| PolarSurfaceArea | 142.64 |
| Druglikeness | -1.2795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (Z)-1-[5-(3-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]methanimine | 2 - (Z)-1-[5-(3-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]methanimine
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