3,5,6-trichloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridin-2-amine
Formula:C14H13N4OCl3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C14H13N4OCl3S |
| Smiles | Clc(cc1Cl)c(N/N=C\c2ccc(N3CCOCC3)s2)nc1Cl |
| InChI | InChI=1S/C14H13Cl3N4OS/c15-10-7-11(16)14(19-13(10)17)20-18-8-9-1-2-12(23-9)21-3-5-22-6-4-21/h1-2,7-8H,3-6H2,(H,19,20) |
| InChIK | KSOQGFRROULARI-UHFFFAOYSA-N |
| TotalMolweight | 391.709 |
| Molweight | 391.709 |
| MonoisotopicMass | 389.987562 |
| CLogP | 5.832 |
| CLogS | -5.113 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.04 |
| Relative PSA | 0.24941 |
| PolarSurfaceArea | 77.99 |
| Druglikeness | 4.6042 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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