N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline
Formula:C20H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline is a drug-like molecule.
| MolName | N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline |
| MolecularFormula | C20H16N4O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc1ccccc1)/c1ccccc1)=O |
| InChI | InChI=1S/C20H16N4O4/c25-23(26)17-11-12-18(20(14-17)24(27)28)21-22-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,21H,13H2 |
| InChIK | FYIPOPSKOCRNIR-UHFFFAOYSA-N |
| TotalMolweight | 376.371 |
| Molweight | 376.371 |
| MonoisotopicMass | 376.117156 |
| CLogP | 4.3775 |
| CLogS | -5.564 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 288.31 |
| Relative PSA | 0.29069 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -3.9632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline | 2 - N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline
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