(2Z)-2-(carbamothioylhydrazinylidene)chromene-3-carboxamide
Formula:C11H10N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-(carbamothioylhydrazinylidene)chromene-3-carboxamide is a drug-like molecule.
| MolName | (2Z)-2-(carbamothioylhydrazinylidene)chromene-3-carboxamide |
| MolecularFormula | C11H10N4O2S |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N\NC(N)=S)=O |
| InChI | InChI=1S/C11H10N4O2S/c12-9(16)7-5-6-3-1-2-4-8(6)17-10(7)14-15-11(13)18/h1-5H,(H2,12,16)(H3,13,15,18) |
| InChIK | JWYGERRQQMGMGV-UHFFFAOYSA-N |
| TotalMolweight | 262.292 |
| Molweight | 262.292 |
| MonoisotopicMass | 262.052446 |
| CLogP | 0.2026 |
| CLogS | -3.003 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 196.4 |
| Relative PSA | 0.53233 |
| PolarSurfaceArea | 134.82 |
| Druglikeness | 3.2088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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