[(Z)-1,2-benzodithiol-3-ylideneamino] N-phenylcarbamate
Formula:C14H10N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,2-benzodithiol-3-ylideneamino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(Z)-1,2-benzodithiol-3-ylideneamino] N-phenylcarbamate |
| MolecularFormula | C14H10N2O2S2 |
| Smiles | O=C(Nc1ccccc1)O/N=C1\SSc2c1cccc2 |
| InChI | InChI=1S/C14H10N2O2S2/c17-14(15-10-6-2-1-3-7-10)18-16-13-11-8-4-5-9-12(11)19-20-13/h1-9H,(H,15,17) |
| InChIK | YKKCFLQTXGHKDJ-UHFFFAOYSA-N |
| TotalMolweight | 302.377 |
| Molweight | 302.377 |
| MonoisotopicMass | 302.018368 |
| CLogP | 4.7761 |
| CLogS | -5.764 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.68 |
| Relative PSA | 0.37378 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | -5.3354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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