(Z)-N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-1-(furan-2-yl)methanimine
Formula:C12H8N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-1-(furan-2-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-1-(furan-2-yl)methanimine |
| MolecularFormula | C12H8N3O3Cl |
| Smiles | [O-][N+](c(cc1)c(/C=N\N=C/c2ccco2)cc1Cl)=O |
| InChI | InChI=1S/C12H8ClN3O3/c13-10-3-4-12(16(17)18)9(6-10)7-14-15-8-11-2-1-5-19-11/h1-8H |
| InChIK | DPNAEBUUDXMHIW-UHFFFAOYSA-N |
| TotalMolweight | 277.667 |
| Molweight | 277.667 |
| MonoisotopicMass | 277.025419 |
| CLogP | 3.6587 |
| CLogS | -5.01 |
| H Acceptors | 6 |
| TotalSurfaceArea | 211.32 |
| Relative PSA | 0.31966 |
| PolarSurfaceArea | 83.68 |
| Druglikeness | -3.7515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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