2-[4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C27H22N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C27H22N3O5 |
| Smiles | [O-]C(COc1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/C=C/c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C27H23N3O5/c31-25(32)19-35-23-16-14-21(15-17-23)18-28-30-27(34)24(13-7-10-20-8-3-1-4-9-20)29-26(33)22-11-5-2-6-12-22/h1-18H,19H2,(H,29,33)(H,30,34)(H,31,32)/p-1 |
| InChIK | XSKMWTAYFDOMOC-UHFFFAOYSA-M |
| TotalMolweight | 468.488 |
| Molweight | 468.488 |
| MonoisotopicMass | 468.155947 |
| CLogP | 2.4589 |
| CLogS | -5.571 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 376.21 |
| Relative PSA | 0.26004 |
| PolarSurfaceArea | 119.92 |
| Druglikeness | 6.4806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off