[2-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C31H23N2O5ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [2-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C31H23N2O5ClS |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cccc1)c1OC(c(sc1c2cccc1)c2Cl)=O |
| InChI | InChI=1S/C31H23ClN2O5S/c32-29-25-11-5-7-13-27(25)40-30(29)31(36)39-26-12-6-4-10-22(26)18-33-34-28(35)20-38-24-16-14-23(15-17-24)37-19-21-8-2-1-3-9-21/h1-18H,19-20H2,(H,34,35) |
| InChIK | FMSJXLUCWRLYAA-UHFFFAOYSA-N |
| TotalMolweight | 571.052 |
| Molweight | 571.052 |
| MonoisotopicMass | 570.10162 |
| CLogP | 7.0823 |
| CLogS | -8.397 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 427.74 |
| Relative PSA | 0.23241 |
| PolarSurfaceArea | 114.46 |
| Druglikeness | 5.3832 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [2-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off