N-[(Z)-benzylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
Formula:C14H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine |
| MolecularFormula | C14H11N3O2S |
| Smiles | O=S(c1c2cccc1)(N=C2N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C14H11N3O2S/c18-20(19)13-9-5-4-8-12(13)14(17-20)16-15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17) |
| InChIK | CTBZNQJFAYDDSK-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 2.8395 |
| CLogS | -3.727 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.29 |
| Relative PSA | 0.30421 |
| PolarSurfaceArea | 79.27 |
| Druglikeness | 2.9862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine | 2 - N-[(Z)-benzylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
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