1,3-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]urea
Formula:C17H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]urea |
| MolecularFormula | C17H14N4O5 |
| Smiles | O=C(N/N=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H14N4O5/c22-17(20-18-7-11-1-3-13-15(5-11)25-9-23-13)21-19-8-12-2-4-14-16(6-12)26-10-24-14/h1-8H,9-10H2,(H2,20,21,22) |
| InChIK | VMYVZWHXBKXIBH-UHFFFAOYSA-N |
| TotalMolweight | 354.321 |
| Molweight | 354.321 |
| MonoisotopicMass | 354.096421 |
| CLogP | 3.8128 |
| CLogS | -6.252 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 263.73 |
| Relative PSA | 0.37531 |
| PolarSurfaceArea | 102.77 |
| Druglikeness | 3.2467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - 1,3-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]urea | 2 - 1,3-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]urea
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