N-[(Z)-furan-2-ylmethylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
Formula:C15H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine |
| MolecularFormula | C15H16N2O3S |
| Smiles | O=S(CC1)(CC1N(c1ccccc1)/N=C\c1ccco1)=O |
| InChI | InChI=1S/C15H16N2O3S/c18-21(19)10-8-14(12-21)17(13-5-2-1-3-6-13)16-11-15-7-4-9-20-15/h1-7,9,11,14H,8,10,12H2/t14-/m1/s1 |
| InChIK | OMBBJJFKSXBTLX-CQSZACIVSA-N |
| TotalMolweight | 304.369 |
| Molweight | 304.369 |
| MonoisotopicMass | 304.088163 |
| CLogP | 2.1061 |
| CLogS | -3.205 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.63 |
| Relative PSA | 0.25482 |
| PolarSurfaceArea | 71.26 |
| Druglikeness | 1.0133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
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