[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]urea
Formula:C11H10N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]urea |
| MolecularFormula | C11H10N3O2Br |
| Smiles | C#CCOc(cc1)cc(/C=N\NC(N)=O)c1Br |
| InChI | InChI=1S/C11H10BrN3O2/c1-2-5-17-9-3-4-10(12)8(6-9)7-14-15-11(13)16/h1,3-4,6-7H,5H2,(H3,13,15,16) |
| InChIK | LTFLQBWICOBNFI-UHFFFAOYSA-N |
| TotalMolweight | 296.123 |
| Molweight | 296.123 |
| MonoisotopicMass | 294.995638 |
| CLogP | 1.8177 |
| CLogS | -4.29 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 201.95 |
| Relative PSA | 0.30344 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]urea | 2 - [(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]urea
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