4-amino-3,5,6-trichloro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
Formula:C17H10N5O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H10N5O4Cl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C17H10Cl3N5O4/c18-12-14(21)13(19)16(20)23-15(12)17(26)24-22-7-8-5-6-11(29-8)9-3-1-2-4-10(9)25(27)28/h1-7H,(H2,21,23)(H,24,26) |
| InChIK | OVUNFTLZMLPDLY-UHFFFAOYSA-N |
| TotalMolweight | 454.656 |
| Molweight | 454.656 |
| MonoisotopicMass | 452.979836 |
| CLogP | 3.3397 |
| CLogS | -6.917 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 313.65 |
| Relative PSA | 0.34044 |
| PolarSurfaceArea | 139.33 |
| Druglikeness | 1.3891 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| 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)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
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