[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C25H20N3O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C25H20N3O4I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C25H20IN3O4/c26-22-9-5-4-8-21(22)25(32)27-17-23(30)29-28-16-19-10-13-20(14-11-19)33-24(31)15-12-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,32)(H,29,30) |
| InChIK | KCVOVNRNJILKPK-UHFFFAOYSA-N |
| TotalMolweight | 553.351 |
| Molweight | 553.351 |
| MonoisotopicMass | 553.049855 |
| CLogP | 4.4821 |
| CLogS | -6.344 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 370.25 |
| Relative PSA | 0.22566 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.3585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off