2,4-dinitro-N-[(E)-(2-phenoxy-1-phenylethylidene)amino]aniline
Formula:C20H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(E)-(2-phenoxy-1-phenylethylidene)amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(E)-(2-phenoxy-1-phenylethylidene)amino]aniline |
| MolecularFormula | C20H16N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/COc1ccccc1)\c1ccccc1)=O |
| InChI | InChI=1S/C20H16N4O5/c25-23(26)16-11-12-18(20(13-16)24(27)28)21-22-19(15-7-3-1-4-8-15)14-29-17-9-5-2-6-10-17/h1-13,21H,14H2 |
| InChIK | FGTRYDSNXYDDDD-UHFFFAOYSA-N |
| TotalMolweight | 392.37 |
| Molweight | 392.37 |
| MonoisotopicMass | 392.112071 |
| CLogP | 3.9543 |
| CLogS | -5.379 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 298.31 |
| Relative PSA | 0.31447 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | -4.4744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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