[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C24H15N3O4Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C24H15N3O4Cl2S |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OC(c(sc1c2cccc1)c2Cl)=O)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C24H15Cl2N3O4S/c25-15-9-11-16(12-10-15)28-22(30)23(31)29-27-13-14-5-1-3-7-18(14)33-24(32)21-20(26)17-6-2-4-8-19(17)34-21/h1-13H,(H,28,30)(H,29,31) |
| InChIK | ONNJUWPHBCSGTJ-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 | none |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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