(6Z)-2,4-dibromo-6-bromoiminocyclohexa-2,4-dien-1-one
Formula:C6H2NOBr3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-2,4-dibromo-6-bromoiminocyclohexa-2,4-dien-1-one is a drug-like molecule.
| MolName | (6Z)-2,4-dibromo-6-bromoiminocyclohexa-2,4-dien-1-one |
| MolecularFormula | C6H2NOBr3 |
| Smiles | O=C1C(Br)=CC(Br)=C/C1=N/Br |
| InChI | InChI=1S/C6H2Br3NO/c7-3-1-4(8)6(11)5(2-3)10-9/h1-2H |
| InChIK | IBWZPGGXTGSWNY-UHFFFAOYSA-N |
| TotalMolweight | 343.8 |
| Molweight | 343.8 |
| MonoisotopicMass | 340.768647 |
| CLogP | 1.6665 |
| CLogS | -3.439 |
| H Acceptors | 2 |
| TotalSurfaceArea | 146.03 |
| Relative PSA | 0.16812 |
| PolarSurfaceArea | 29.43 |
| Druglikeness | -6.79 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I; 2-halo-enone |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| StereoCon |
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