[(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] N-(4-chlorophenyl)carbamate
Formula:C13H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C13H17N4O2ClS |
| Smiles | N/C(/CN1CCSCC1)=N\OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C13H17ClN4O2S/c14-10-1-3-11(4-2-10)16-13(19)20-17-12(15)9-18-5-7-21-8-6-18/h1-4H,5-9H2,(H2,15,17)(H,16,19) |
| InChIK | OBQGKTYXIIUDKZ-UHFFFAOYSA-N |
| TotalMolweight | 328.823 |
| Molweight | 328.823 |
| MonoisotopicMass | 328.076073 |
| CLogP | 1.8976 |
| CLogS | -3.494 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 242.47 |
| Relative PSA | 0.33951 |
| PolarSurfaceArea | 105.25 |
| Druglikeness | -2.805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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