[(E)-1H-isothiochromen-4-ylideneamino] 2-chlorobenzoate
Formula:C16H12NO2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-1H-isothiochromen-4-ylideneamino] 2-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-1H-isothiochromen-4-ylideneamino] 2-chlorobenzoate |
| MolecularFormula | C16H12NO2ClS |
| Smiles | O=C(c(cccc1)c1Cl)O/N=C(/CSC1)\c2c1cccc2 |
| InChI | InChI=1S/C16H12ClNO2S/c17-14-8-4-3-7-13(14)16(19)20-18-15-10-21-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2 |
| InChIK | MWCIRKKYGMGUEU-UHFFFAOYSA-N |
| TotalMolweight | 317.795 |
| Molweight | 317.795 |
| MonoisotopicMass | 317.027726 |
| CLogP | 4.8215 |
| CLogS | -5.737 |
| H Acceptors | 3 |
| TotalSurfaceArea | 230.67 |
| Relative PSA | 0.2256 |
| PolarSurfaceArea | 63.96 |
| Druglikeness | -2.0181 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(E)-1H-isothiochromen-4-ylideneamino] 2-chlorobenzoate | 2 - [(E)-1H-isothiochromen-4-ylideneamino] 2-chlorobenzoate
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