N-[(Z)-(1,1-dioxothiophen-3-ylidene)amino]aniline
Formula:C10H10N2O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1,1-dioxothiophen-3-ylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(Z)-(1,1-dioxothiophen-3-ylidene)amino]aniline |
| MolecularFormula | C10H10N2O2S |
| Smiles | O=S(C1)(C=C/C1=N/Nc1ccccc1)=O |
| InChI | InChI=1S/C10H10N2O2S/c13-15(14)7-6-10(8-15)12-11-9-4-2-1-3-5-9/h1-7,11H,8H2 |
| InChIK | GBWUYOTWHIJZNA-UHFFFAOYSA-N |
| TotalMolweight | 222.267 |
| Molweight | 222.267 |
| MonoisotopicMass | 222.046298 |
| CLogP | 2.4984 |
| CLogS | -1.927 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 163.03 |
| Relative PSA | 0.3162 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -2.915 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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