1-(2,6-dichloropyridin-4-yl)-3-[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
Formula:C16H10N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,6-dichloropyridin-4-yl)-3-[(Z)-(4-oxochromen-3-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-(4-oxochromen-3-yl)methylideneamino]urea |
| MolecularFormula | C16H10N4O3Cl2 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C16H10Cl2N4O3/c17-13-5-10(6-14(18)21-13)20-16(24)22-19-7-9-8-25-12-4-2-1-3-11(12)15(9)23/h1-8H,(H2,20,21,22,24) |
| InChIK | AHLQVAGGVOXQJQ-UHFFFAOYSA-N |
| TotalMolweight | 377.186 |
| Molweight | 377.186 |
| MonoisotopicMass | 376.012995 |
| CLogP | 2.7188 |
| CLogS | -4.99 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 267.01 |
| Relative PSA | 0.30516 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 4.463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-(4-oxochromen-3-yl)methylideneamino]urea | 2 - 1-(2,6-dichloropyridin-4-yl)-3-[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
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