2-bromo-N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N3O2Br2 |
| Smiles | O=C(CNC(c(cccc1)c1Br)=O)N/N=C\c1cc(Br)ccc1 |
| InChI | InChI=1S/C16H13Br2N3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22) |
| InChIK | IZBMJMZNZYPTBK-UHFFFAOYSA-N |
| TotalMolweight | 439.106 |
| Molweight | 439.106 |
| MonoisotopicMass | 436.937449 |
| CLogP | 3.7357 |
| CLogS | -5.156 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.22 |
| Relative PSA | 0.22644 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-bromo-N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off