(9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide
Formula:C15H12N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide is a drug-like molecule.
| MolName | (9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide |
| MolecularFormula | C15H12N4OS |
| Smiles | NC(c1cccc2c1-c(cccc1)c1/C2=N\NC(N)=S)=O |
| InChI | InChI=1S/C15H12N4OS/c16-14(20)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)18-19-15(17)21/h1-7H,(H2,16,20)(H3,17,19,21) |
| InChIK | TWOXGNJYJQXXGI-UHFFFAOYSA-N |
| TotalMolweight | 296.353 |
| Molweight | 296.353 |
| MonoisotopicMass | 296.073181 |
| CLogP | 2.2023 |
| CLogS | -5.763 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 221.45 |
| Relative PSA | 0.42696 |
| PolarSurfaceArea | 125.59 |
| Druglikeness | 1.9003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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