[(Z)-(4-bromophenyl)methylideneamino] 2-bromobenzoate
Formula:C14H9NO2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(4-bromophenyl)methylideneamino] 2-bromobenzoate is not a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2-bromobenzoate |
| MolecularFormula | C14H9NO2Br2 |
| Smiles | O=C(c(cccc1)c1Br)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C14H9Br2NO2/c15-11-7-5-10(6-8-11)9-17-19-14(18)12-3-1-2-4-13(12)16/h1-9H |
| InChIK | FDNROBLMBHCMPX-UHFFFAOYSA-N |
| TotalMolweight | 383.038 |
| Molweight | 383.038 |
| MonoisotopicMass | 380.900001 |
| CLogP | 5.3685 |
| CLogS | -5.439 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.79 |
| Relative PSA | 0.15508 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -5.1792 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(4-bromophenyl)methylideneamino] 2-bromobenzoate | 2 - [(Z)-(4-bromophenyl)methylideneamino] 2-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off