[4-bromo-2-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C25H21N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C25H21N2O4Br |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H21BrN2O4/c1-2-8-18-9-6-7-12-22(18)31-17-24(29)28-27-16-20-15-21(26)13-14-23(20)32-25(30)19-10-4-3-5-11-19/h2-7,9-16H,1,8,17H2,(H,28,29) |
| InChIK | ZYBWNRWVQZGINV-UHFFFAOYSA-N |
| TotalMolweight | 493.356 |
| Molweight | 493.356 |
| MonoisotopicMass | 492.068469 |
| CLogP | 5.9606 |
| CLogS | -6.517 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.19 |
| Relative PSA | 0.1944 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | -0.58123 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off