N-[2-bromo-4-[[(E)-3-(3-bromophenyl)prop-2-enylidene]amino]phenyl]benzamide
Formula:C22H16N2OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-bromo-4-[[(E)-3-(3-bromophenyl)prop-2-enylidene]amino]phenyl]benzamide is not a drug-like molecule.
| MolName | N-[2-bromo-4-[[(E)-3-(3-bromophenyl)prop-2-enylidene]amino]phenyl]benzamide |
| MolecularFormula | C22H16N2OBr2 |
| Smiles | O=C(c1ccccc1)Nc(ccc(/N=C/C=C/c1cc(Br)ccc1)c1)c1Br |
| InChI | InChI=1S/C22H16Br2N2O/c23-18-10-4-6-16(14-18)7-5-13-25-19-11-12-21(20(24)15-19)26-22(27)17-8-2-1-3-9-17/h1-15H,(H,26,27) |
| InChIK | YOWHRSKXZAZNHY-UHFFFAOYSA-N |
| TotalMolweight | 484.19 |
| Molweight | 484.19 |
| MonoisotopicMass | 481.962935 |
| CLogP | 5.6496 |
| CLogS | -6.63 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 310.51 |
| Relative PSA | 0.11597 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.32243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-bromo-4-[[(E)-3-(3-bromophenyl)prop-2-enylidene]amino]phenyl]benzamide | 2 - N-[2-bromo-4-[[(E)-3-(3-bromophenyl)prop-2-enylidene]amino]phenyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off