[(E)-thiolan-3-ylideneamino] N-(4-chlorophenyl)carbamate
Formula:C11H11N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-thiolan-3-ylideneamino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-thiolan-3-ylideneamino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C11H11N2O2ClS |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C1/CSCC1 |
| InChI | InChI=1S/C11H11ClN2O2S/c12-8-1-3-9(4-2-8)13-11(15)16-14-10-5-6-17-7-10/h1-4H,5-7H2,(H,13,15) |
| InChIK | ODSUJINGNUMGTB-UHFFFAOYSA-N |
| TotalMolweight | 270.739 |
| Molweight | 270.739 |
| MonoisotopicMass | 270.022975 |
| CLogP | 3.1696 |
| CLogS | -4.412 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 196.13 |
| Relative PSA | 0.32376 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | -5.0486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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