[3-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C20H15N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C20H15N2O3ClS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1cccc(OC(c(cccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C20H15ClN2O3S/c21-18-9-2-1-8-17(18)20(25)26-15-6-3-5-14(11-15)13-22-23-19(24)12-16-7-4-10-27-16/h1-11,13H,12H2,(H,23,24) |
| InChIK | IPKOOXGNEKTEMU-UHFFFAOYSA-N |
| TotalMolweight | 398.869 |
| Molweight | 398.869 |
| MonoisotopicMass | 398.04919 |
| CLogP | 5.1028 |
| CLogS | -5.902 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.62 |
| Relative PSA | 0.26504 |
| PolarSurfaceArea | 96 |
| Druglikeness | 6.0058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [3-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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