N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C17H14N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H14N3O4F |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H14FN3O4/c18-13-4-1-11(2-5-13)8-20-21-16(22)9-19-17(23)12-3-6-14-15(7-12)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22) |
| InChIK | YYYPZVLEMYRNEW-UHFFFAOYSA-N |
| TotalMolweight | 343.313 |
| Molweight | 343.313 |
| MonoisotopicMass | 343.096835 |
| CLogP | 2.4975 |
| CLogS | -4.513 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.57 |
| Relative PSA | 0.31379 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.8539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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