(Z)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
Formula:C13H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine is a drug-like molecule.
| MolName | (Z)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine |
| MolecularFormula | C13H12N3O2F |
| Smiles | Fc1cc(CO/N=C2\c3nonc3CCC2)ccc1 |
| InChI | InChI=1S/C13H12FN3O2/c14-10-4-1-3-9(7-10)8-18-15-11-5-2-6-12-13(11)17-19-16-12/h1,3-4,7H,2,5-6,8H2 |
| InChIK | VUEKFNOSFPPCRV-UHFFFAOYSA-N |
| TotalMolweight | 261.255 |
| Molweight | 261.255 |
| MonoisotopicMass | 261.091355 |
| CLogP | 3.2285 |
| CLogS | -3.196 |
| H Acceptors | 5 |
| TotalSurfaceArea | 201.09 |
| Relative PSA | 0.28624 |
| PolarSurfaceArea | 60.51 |
| Druglikeness | -2.9368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine | 2 - (Z)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
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