2,4-dinitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline
Formula:C18H13N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline |
| MolecularFormula | C18H13N5O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/c1ccccc1)\c1ccncc1)=O |
| InChI | InChI=1S/C18H13N5O4/c24-22(25)15-6-7-16(17(12-15)23(26)27)20-21-18(13-4-2-1-3-5-13)14-8-10-19-11-9-14/h1-12,20H |
| InChIK | LKNJVUDQSMKNJL-UHFFFAOYSA-N |
| TotalMolweight | 363.332 |
| Molweight | 363.332 |
| MonoisotopicMass | 363.096755 |
| CLogP | 3.1935 |
| CLogS | -5.05 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 273.31 |
| Relative PSA | 0.34679 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -4.1334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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