N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
Formula:C12H8N5O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C12H8N5O4Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\Nc(cc2)ncc2[N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C12H8ClN5O4/c13-11-3-1-9(17(19)20)5-8(11)6-15-16-12-4-2-10(7-14-12)18(21)22/h1-7H,(H,14,16) |
| InChIK | YVOJHTGQRGDKIH-UHFFFAOYSA-N |
| TotalMolweight | 321.68 |
| Molweight | 321.68 |
| MonoisotopicMass | 321.026482 |
| CLogP | 2.9542 |
| CLogS | -4.535 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 230.76 |
| Relative PSA | 0.41073 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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