4-amino-3,5,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide
Formula:C15H11N4OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide |
| MolecularFormula | C15H11N4OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\C=C\c1ccccc1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C15H11Cl3N4O/c16-10-12(19)11(17)14(18)21-13(10)15(23)22-20-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,19,21)(H,22,23) |
| InChIK | ZIFOMIOMBSDHFT-UHFFFAOYSA-N |
| TotalMolweight | 369.638 |
| Molweight | 369.638 |
| MonoisotopicMass | 367.999842 |
| CLogP | 3.5111 |
| CLogS | -5.289 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.03 |
| Relative PSA | 0.23312 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 4.4143 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| 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)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off