[4-bromo-2-[(Z)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C28H20N2O4Br2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C28H20N2O4Br2 |
| Smiles | O=C(COc(ccc1ccccc11)c1Br)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C28H20Br2N2O4/c29-22-12-14-24(36-27(34)15-10-19-6-2-1-3-7-19)21(16-22)17-31-32-26(33)18-35-25-13-11-20-8-4-5-9-23(20)28(25)30/h1-17H,18H2,(H,32,33) |
| InChIK | UUXQYGCOUNJQQR-UHFFFAOYSA-N |
| TotalMolweight | 608.285 |
| Molweight | 608.285 |
| MonoisotopicMass | 605.97898 |
| CLogP | 7.181 |
| CLogS | -8.615 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 396.62 |
| Relative PSA | 0.1741 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.086579 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off