N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H13N3O4 |
| Smiles | N/C(/c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O)=N/O |
| InChI | InChI=1S/C15H13N3O4/c16-14(18-20)9-1-4-11(5-2-9)17-15(19)10-3-6-12-13(7-10)22-8-21-12/h1-7,20H,8H2,(H2,16,18)(H,17,19) |
| InChIK | LYSXDWBAALEXFS-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 2.6272 |
| CLogS | -4.303 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 220.33 |
| Relative PSA | 0.38297 |
| PolarSurfaceArea | 106.17 |
| Druglikeness | 0.64106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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