4-amino-3,5,6-trichloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H7N5O3Cl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H7N5O3Cl4 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H7Cl4N5O3/c14-6-2-1-5(3-7(6)22(24)25)4-19-21-13(23)11-8(15)10(18)9(16)12(17)20-11/h1-4H,(H2,18,20)(H,21,23) |
| InChIK | WPAJMHPTUIDEQJ-UHFFFAOYSA-N |
| TotalMolweight | 423.043 |
| Molweight | 423.043 |
| MonoisotopicMass | 420.930298 |
| CLogP | 3.0068 |
| CLogS | -6.193 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 279.62 |
| Relative PSA | 0.33141 |
| PolarSurfaceArea | 126.19 |
| Druglikeness | -0.7815 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
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