1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-carbamoylurea
Formula:C10H10N4O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-carbamoylurea is a drug-like molecule.
| MolName | 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-carbamoylurea |
| MolecularFormula | C10H10N4O4 |
| Smiles | NC(NC(N/N=C\c(cc1)cc2c1OCO2)=O)=O |
| InChI | InChI=1S/C10H10N4O4/c11-9(15)13-10(16)14-12-4-6-1-2-7-8(3-6)18-5-17-7/h1-4H,5H2,(H4,11,13,14,15,16) |
| InChIK | SLLXZWHNVRVYEH-UHFFFAOYSA-N |
| TotalMolweight | 250.213 |
| Molweight | 250.213 |
| MonoisotopicMass | 250.070206 |
| CLogP | 1.0324 |
| CLogS | -3.986 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 185.22 |
| Relative PSA | 0.51711 |
| PolarSurfaceArea | 115.04 |
| Druglikeness | 4.2461 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-carbamoylurea | 2 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-carbamoylurea
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