4-amino-3,5,6-trichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H8N5O3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H8N5O3Cl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1cc([N+]([O-])=O)ccc1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H8Cl3N5O3/c14-8-10(17)9(15)12(16)19-11(8)13(22)20-18-5-6-2-1-3-7(4-6)21(23)24/h1-5H,(H2,17,19)(H,20,22) |
| InChIK | JPHOTBNINPEOSU-UHFFFAOYSA-N |
| TotalMolweight | 388.598 |
| Molweight | 388.598 |
| MonoisotopicMass | 386.969271 |
| CLogP | 2.4008 |
| CLogS | -5.457 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 264.2 |
| Relative PSA | 0.35076 |
| 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 | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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)-(3-nitrophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
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