(NZ)-N-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
Formula:C10H8NO2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine |
| MolecularFormula | C10H8NO2Br |
| Smiles | C#CCOc(cc1)c(/C=N\O)cc1Br |
| InChI | InChI=1S/C10H8BrNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h1,3-4,6-7,13H,5H2 |
| InChIK | NBAPYNRHLHGBBW-UHFFFAOYSA-N |
| TotalMolweight | 254.083 |
| Molweight | 254.083 |
| MonoisotopicMass | 252.97384 |
| CLogP | 2.8967 |
| CLogS | -3.791 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 170.57 |
| Relative PSA | 0.20291 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -2.9396 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (NZ)-N-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine | 2 - (NZ)-N-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
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