2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline
Formula:C23H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline |
| MolecularFormula | C23H20N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C1OCCC1c1ccccc1)\c1ccccc1)=O |
| InChI | InChI=1S/C23H20N4O5/c28-26(29)18-11-12-20(21(15-18)27(30)31)24-25-22(17-9-5-2-6-10-17)23-19(13-14-32-23)16-7-3-1-4-8-16/h1-12,15,19,23-24H,13-14H2 |
| InChIK | TXFPDUJCJGTQSA-UHFFFAOYSA-N |
| TotalMolweight | 432.435 |
| Molweight | 432.435 |
| MonoisotopicMass | 432.143371 |
| CLogP | 4.5735 |
| CLogS | -6.047 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 323.57 |
| Relative PSA | 0.28992 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | -3.8755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
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1 - 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline | 2 - 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline
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