2-[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxy-N-(2-fluorophenyl)acetamide
Formula:C14H13N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxy-N-(2-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxy-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C14H13N4O3F |
| Smiles | O=C(CO/N=C1\c2nonc2CCC1)Nc(cccc1)c1F |
| InChI | InChI=1S/C14H13FN4O3/c15-9-4-1-2-5-10(9)16-13(20)8-21-17-11-6-3-7-12-14(11)19-22-18-12/h1-2,4-5H,3,6-8H2,(H,16,20) |
| InChIK | JHNFXMBNZCWJCS-UHFFFAOYSA-N |
| TotalMolweight | 304.28 |
| Molweight | 304.28 |
| MonoisotopicMass | 304.097169 |
| CLogP | 2.6028 |
| CLogS | -3.147 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 230.3 |
| Relative PSA | 0.35632 |
| PolarSurfaceArea | 89.61 |
| Druglikeness | -1.1459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxy-N-(2-fluorophenyl)acetamide | 2 - 2-[(Z)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxy-N-(2-fluorophenyl)acetamide
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