(9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxylate
Formula:C15H10N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxylate is a drug-like molecule.
| MolName | (9E)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxylate |
| MolecularFormula | C15H10N3O2S |
| Smiles | NC(N/N=C(\c1c-2cccc1)/c1c2c(C([O-])=O)ccc1)=S |
| InChI | InChI=1S/C15H11N3O2S/c16-15(21)18-17-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(19)20/h1-7H,(H,19,20)(H3,16,18,21)/p-1 |
| InChIK | VUIVHOVYKBBEPO-UHFFFAOYSA-M |
| TotalMolweight | 296.329 |
| Molweight | 296.329 |
| MonoisotopicMass | 296.049372 |
| CLogP | 0.5241 |
| CLogS | -5.687 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 220.46 |
| Relative PSA | 0.42439 |
| PolarSurfaceArea | 122.63 |
| Druglikeness | 1.5184 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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