[3-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C24H15N3O4Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C24H15N3O4Cl2S |
| Smiles | O=C(C(N/N=C\c1cc(OC(c(sc2c3cccc2)c3Cl)=O)ccc1)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C24H15Cl2N3O4S/c25-17-9-2-3-10-18(17)28-22(30)23(31)29-27-13-14-6-5-7-15(12-14)33-24(32)21-20(26)16-8-1-4-11-19(16)34-21/h1-13H,(H,28,30)(H,29,31) |
| InChIK | SNYLPDMXPUVRHB-UHFFFAOYSA-N |
| TotalMolweight | 512.372 |
| Molweight | 512.372 |
| MonoisotopicMass | 511.016031 |
| CLogP | 5.7076 |
| CLogS | -7.816 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 365.09 |
| Relative PSA | 0.28461 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 4.648 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; 3-halo-enone |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off