[4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C19H13N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C19H13N2O3ClS |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N/NC(c(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C19H13ClN2O3S/c20-15-7-5-14(6-8-15)18(23)22-21-12-13-3-9-16(10-4-13)25-19(24)17-2-1-11-26-17/h1-12H,(H,22,23) |
| InChIK | XVABESYUXCHTBC-UHFFFAOYSA-N |
| TotalMolweight | 384.842 |
| Molweight | 384.842 |
| MonoisotopicMass | 384.03354 |
| CLogP | 5.1047 |
| CLogS | -5.937 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.86 |
| Relative PSA | 0.27779 |
| PolarSurfaceArea | 96 |
| Druglikeness | 5.9878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| 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 | 4 |
| StereoCon |
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