(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,1-diphenylmethanimine
Formula:C18H13N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,1-diphenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,1-diphenylmethanimine |
| MolecularFormula | C18H13N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)o1)=O |
| InChI | InChI=1S/C18H13N3O3/c22-21(23)17-12-11-16(24-17)13-19-20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H |
| InChIK | DWTLMSVSUOPTDU-UHFFFAOYSA-N |
| TotalMolweight | 319.319 |
| Molweight | 319.319 |
| MonoisotopicMass | 319.095692 |
| CLogP | 4.6008 |
| CLogS | -6.575 |
| H Acceptors | 6 |
| TotalSurfaceArea | 253.87 |
| Relative PSA | 0.26608 |
| PolarSurfaceArea | 83.68 |
| Druglikeness | 0.70971 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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