N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
Formula:C13H12N6O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide is a drug-like molecule.
| MolName | N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide |
| MolecularFormula | C13H12N6O3ClF |
| Smiles | O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C13H12ClFN6O3/c14-8-2-1-3-9(15)7(8)6-17-19-10(22)4-5-16-11-12(23)18-13(24)21-20-11/h1-3,6H,4-5H2,(H,16,20)(H,19,22)(H2,18,21,23,24) |
| InChIK | OUFCSOOPODDBIP-UHFFFAOYSA-N |
| TotalMolweight | 354.728 |
| Molweight | 354.728 |
| MonoisotopicMass | 354.064344 |
| CLogP | 0.5058 |
| CLogS | -4.256 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 255.87 |
| Relative PSA | 0.42201 |
| PolarSurfaceArea | 124.05 |
| Druglikeness | 5.6032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide | 2 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
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