[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C23H15N2O5ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C23H15N2O5ClS |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1cccc(OC(c(sc2c3cccc2)c3Cl)=O)c1)=O |
| InChI | InChI=1S/C23H15ClN2O5S/c24-20-17-6-1-2-7-19(17)32-21(20)23(30)31-15-5-3-4-13(10-15)12-25-26-22(29)16-9-8-14(27)11-18(16)28/h1-12,27-28H,(H,26,29) |
| InChIK | YFCWMCSJVRAFEO-UHFFFAOYSA-N |
| TotalMolweight | 466.9 |
| Molweight | 466.9 |
| MonoisotopicMass | 466.03902 |
| CLogP | 5.4679 |
| CLogS | -6.684 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 333.16 |
| Relative PSA | 0.31699 |
| PolarSurfaceArea | 136.46 |
| Druglikeness | 5.3852 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off