4-amino-3,5,6-trichloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]pyridine-2-carboxamide
Formula:C15H11N4OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C15H11N4OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C(\CC1)/c2c1cccc2)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C15H11Cl3N4O/c16-10-12(19)11(17)14(18)20-13(10)15(23)22-21-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2,(H2,19,20)(H,22,23) |
| InChIK | NEFJTYCRILMVAR-UHFFFAOYSA-N |
| TotalMolweight | 369.638 |
| Molweight | 369.638 |
| MonoisotopicMass | 367.999842 |
| CLogP | 3.8235 |
| CLogS | -5.676 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.76 |
| Relative PSA | 0.24628 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 2.3611 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]pyridine-2-carboxamide
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