N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C17H13N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H13N3O4Cl2 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C17H13Cl2N3O4/c18-12-3-1-2-11(16(12)19)7-21-22-15(23)8-20-17(24)10-4-5-13-14(6-10)26-9-25-13/h1-7H,8-9H2,(H,20,24)(H,22,23) |
| InChIK | LFWUYHQYEKFKQT-UHFFFAOYSA-N |
| TotalMolweight | 394.213 |
| Molweight | 394.213 |
| MonoisotopicMass | 393.028311 |
| CLogP | 3.6087 |
| CLogS | -5.671 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.06 |
| Relative PSA | 0.28645 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 5.2296 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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