(NE)-N-(3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-ylidene)hydroxylamine
Formula:C12H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-ylidene)hydroxylamine |
| MolecularFormula | C12H13NO3 |
| Smiles | O/N=C(\CCCc1c2)/c1cc1c2OCCO1 |
| InChI | InChI=1S/C12H13NO3/c14-13-10-3-1-2-8-6-11-12(7-9(8)10)16-5-4-15-11/h6-7,14H,1-5H2 |
| InChIK | FZKYRKLTPYOXHI-UHFFFAOYSA-N |
| TotalMolweight | 219.239 |
| Molweight | 219.239 |
| MonoisotopicMass | 219.089544 |
| CLogP | 2.8658 |
| CLogS | -3.446 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 164.38 |
| Relative PSA | 0.27138 |
| PolarSurfaceArea | 51.05 |
| Druglikeness | -11.107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - (NE)-N-(3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-ylidene)hydroxylamine | 2 - (NE)-N-(3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-ylidene)hydroxylamine
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