1-[(Z)-benzylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
Formula:C13H10N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-benzylideneamino]-3-(2,6-dichloropyridin-4-yl)urea is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-3-(2,6-dichloropyridin-4-yl)urea |
| MolecularFormula | C13H10N4OCl2 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H10Cl2N4O/c14-11-6-10(7-12(15)18-11)17-13(20)19-16-8-9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20) |
| InChIK | HNRURGFZAPJZOS-UHFFFAOYSA-N |
| TotalMolweight | 309.155 |
| Molweight | 309.155 |
| MonoisotopicMass | 308.023165 |
| CLogP | 3.6014 |
| CLogS | -4.44 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.05 |
| Relative PSA | 0.25626 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 3.8021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-benzylideneamino]-3-(2,6-dichloropyridin-4-yl)urea | 2 - 1-[(Z)-benzylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
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