[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
Formula:C19H13N2O3IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-iodobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C19H13N2O3IS |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C19H13IN2O3S/c20-16-5-2-1-4-15(16)19(24)25-14-9-7-13(8-10-14)12-21-22-18(23)17-6-3-11-26-17/h1-12H,(H,22,23) |
| InChIK | ZKNOUBISMLZTOT-UHFFFAOYSA-N |
| TotalMolweight | 476.289 |
| Molweight | 476.289 |
| MonoisotopicMass | 475.969161 |
| CLogP | 4.9358 |
| CLogS | -6.217 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.72 |
| Relative PSA | 0.26763 |
| PolarSurfaceArea | 96 |
| Druglikeness | 6.338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off