(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanimine
Formula:C22H14N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-[5-(4-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-(4-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanimine |
| MolecularFormula | C22H14N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N=C/c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)o1)=O |
| InChI | InChI=1S/C22H14N4O6/c27-25(28)17-5-1-15(2-6-17)21-11-9-19(31-21)13-23-24-14-20-10-12-22(32-20)16-3-7-18(8-4-16)26(29)30/h1-14H |
| InChIK | JGLRYDVTSPUKQZ-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 | 0.6875 |
| 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 | 18 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (Z)-1-[5-(4-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanimine | 2 - (Z)-1-[5-(4-nitrophenyl)furan-2-yl]-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanimine
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