1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
Formula:C14H10N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,6-dichloropyridin-4-yl)urea is a drug-like molecule.
| MolName | 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,6-dichloropyridin-4-yl)urea |
| MolecularFormula | C14H10N4O3Cl2 |
| Smiles | O=C(Nc1cc(Cl)nc(Cl)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H10Cl2N4O3/c15-12-4-9(5-13(16)19-12)18-14(21)20-17-6-8-1-2-10-11(3-8)23-7-22-10/h1-6H,7H2,(H2,18,19,20,21) |
| InChIK | YNEHKGMMNCYIIR-UHFFFAOYSA-N |
| TotalMolweight | 353.164 |
| Molweight | 353.164 |
| MonoisotopicMass | 352.012995 |
| CLogP | 3.7128 |
| CLogS | -5.151 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 248.31 |
| Relative PSA | 0.3159 |
| PolarSurfaceArea | 84.84 |
| Druglikeness | 3.6325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,6-dichloropyridin-4-yl)urea | 2 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2,6-dichloropyridin-4-yl)urea
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