(NZ)-N-[2-(1,3-benzodioxol-5-ylmethylideneamino)fluoren-9-ylidene]hydroxylamine
Formula:C21H14N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[2-(1,3-benzodioxol-5-ylmethylideneamino)fluoren-9-ylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[2-(1,3-benzodioxol-5-ylmethylideneamino)fluoren-9-ylidene]hydroxylamine |
| MolecularFormula | C21H14N2O3 |
| Smiles | O/N=C1\c(cc(cc2)/N=C/c(cc3)cc4c3OCO4)c2-c2c1cccc2 |
| InChI | InChI=1S/C21H14N2O3/c24-23-21-17-4-2-1-3-15(17)16-7-6-14(10-18(16)21)22-11-13-5-8-19-20(9-13)26-12-25-19/h1-11,24H,12H2 |
| InChIK | LASWBYPNJDHOGA-UHFFFAOYSA-N |
| TotalMolweight | 342.353 |
| Molweight | 342.353 |
| MonoisotopicMass | 342.100443 |
| CLogP | 5.2825 |
| CLogS | -7.344 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.62 |
| Relative PSA | 0.22128 |
| PolarSurfaceArea | 63.41 |
| Druglikeness | -0.4544 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| StereoCon |
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