(NZ)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]hydroxylamine
Formula:C14H11NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]hydroxylamine |
| MolecularFormula | C14H11NO2 |
| Smiles | C#CCOc1c(/C=N\O)c2ccccc2cc1 |
| InChI | InChI=1S/C14H11NO2/c1-2-9-17-14-8-7-11-5-3-4-6-12(11)13(14)10-15-16/h1,3-8,10,16H,9H2 |
| InChIK | ZDDHBFOWPHXZRQ-UHFFFAOYSA-N |
| TotalMolweight | 225.246 |
| Molweight | 225.246 |
| MonoisotopicMass | 225.078979 |
| CLogP | 3.3659 |
| CLogS | -4.563 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 186.54 |
| Relative PSA | 0.18554 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -1.1496 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| StereoCon |
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