[(Z)-[1-amino-2-(1-benzothiophen-3-yl)ethylidene]amino] benzoate
Formula:C17H14N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[1-amino-2-(1-benzothiophen-3-yl)ethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(Z)-[1-amino-2-(1-benzothiophen-3-yl)ethylidene]amino] benzoate |
| MolecularFormula | C17H14N2O2S |
| Smiles | N/C(/Cc1csc2c1cccc2)=N\OC(c1ccccc1)=O |
| InChI | InChI=1S/C17H14N2O2S/c18-16(19-21-17(20)12-6-2-1-3-7-12)10-13-11-22-15-9-5-4-8-14(13)15/h1-9,11H,10H2,(H2,18,19) |
| InChIK | FQTZJZPCOAFEEH-UHFFFAOYSA-N |
| TotalMolweight | 310.376 |
| Molweight | 310.376 |
| MonoisotopicMass | 310.077598 |
| CLogP | 3.9092 |
| CLogS | -4.74 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.56 |
| Relative PSA | 0.29667 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.6492 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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