[(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] benzoate
Formula:C17H13N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] benzoate |
| MolecularFormula | C17H13N2O2ClS |
| Smiles | N/C(/Cc1csc(cc2)c1cc2Cl)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C17H13ClN2O2S/c18-13-6-7-15-14(9-13)12(10-23-15)8-16(19)20-22-17(21)11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,19,20) |
| InChIK | JJWMOCLGMLPGMK-UHFFFAOYSA-N |
| TotalMolweight | 344.821 |
| Molweight | 344.821 |
| MonoisotopicMass | 344.038625 |
| CLogP | 4.5152 |
| CLogS | -5.476 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.98 |
| Relative PSA | 0.27851 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.5639 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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