4-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline
Formula:C18H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline |
| MolecularFormula | C18H14N4O2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/c1ccccc1)\c1ncccc1)=O |
| InChI | InChI=1S/C18H14N4O2/c23-22(24)16-11-9-15(10-12-16)20-21-18(14-6-2-1-3-7-14)17-8-4-5-13-19-17/h1-13,20H |
| InChIK | UTDYHZAUNOSZBE-UHFFFAOYSA-N |
| TotalMolweight | 318.335 |
| Molweight | 318.335 |
| MonoisotopicMass | 318.111676 |
| CLogP | 4.1691 |
| CLogS | -4.614 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.64 |
| Relative PSA | 0.25781 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -4.1334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| 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 | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline | 2 - 4-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline
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