4-amino-3,5,6-trichloro-N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C14H8N5OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C14H8N5OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cc1)ccc1C#N)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C14H8Cl3N5O/c15-9-11(19)10(16)13(17)21-12(9)14(23)22-20-6-8-3-1-7(5-18)2-4-8/h1-4,6H,(H2,19,21)(H,22,23) |
| InChIK | QRARNNBVQMSUMM-UHFFFAOYSA-N |
| TotalMolweight | 368.611 |
| Molweight | 368.611 |
| MonoisotopicMass | 366.979441 |
| CLogP | 3.3284 |
| CLogS | -5.77 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.24 |
| Relative PSA | 0.28909 |
| PolarSurfaceArea | 104.16 |
| Druglikeness | 0.12058 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off