(1Z)-2-anilino-N-(2,4-dichlorophenyl)-2-oxoethanehydrazonoyl bromide
Formula:C14H10N3OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-anilino-N-(2,4-dichlorophenyl)-2-oxoethanehydrazonoyl bromide is not a drug-like molecule.
| MolName | (1Z)-2-anilino-N-(2,4-dichlorophenyl)-2-oxoethanehydrazonoyl bromide |
| MolecularFormula | C14H10N3OBrCl2 |
| Smiles | O=C(/C(/Br)=N/Nc(ccc(Cl)c1)c1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C14H10BrCl2N3O/c15-13(14(21)18-10-4-2-1-3-5-10)20-19-12-7-6-9(16)8-11(12)17/h1-8,19H,(H,18,21) |
| InChIK | SYWRGVXFWSKIQZ-UHFFFAOYSA-N |
| TotalMolweight | 387.063 |
| Molweight | 387.063 |
| MonoisotopicMass | 384.938427 |
| CLogP | 5.0599 |
| CLogS | -4.332 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.13 |
| Relative PSA | 0.19287 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -3.3879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-2-anilino-N-(2,4-dichlorophenyl)-2-oxoethanehydrazonoyl bromide | 2 - (1Z)-2-anilino-N-(2,4-dichlorophenyl)-2-oxoethanehydrazonoyl bromide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off