N-(4-iodophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide
Formula:C16H10NO2IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-iodophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide is a drug-like molecule.
| MolName | N-(4-iodophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide |
| MolecularFormula | C16H10NO2IS |
| Smiles | O=CN(/C=C1\Sc(cccc2)c2C1=O)c(cc1)ccc1I |
| InChI | InChI=1S/C16H10INO2S/c17-11-5-7-12(8-6-11)18(10-19)9-15-16(20)13-3-1-2-4-14(13)21-15/h1-10H |
| InChIK | SNHGBYDVLGWBTD-UHFFFAOYSA-N |
| TotalMolweight | 407.226 |
| Molweight | 407.226 |
| MonoisotopicMass | 406.947697 |
| CLogP | 2.6128 |
| CLogS | -6.145 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.59 |
| Relative PSA | 0.20001 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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