N-[(propanoylamino)carbamothioyl]benzamide
Formula:C11H13N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(propanoylamino)carbamothioyl]benzamide is a drug-like molecule.
| MolName | N-[(propanoylamino)carbamothioyl]benzamide |
| MolecularFormula | C11H13N3O2S |
| Smiles | CCC(NNC(NC(c1ccccc1)=O)=S)=O |
| InChI | InChI=1S/C11H13N3O2S/c1-2-9(15)13-14-11(17)12-10(16)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)(H2,12,14,16,17) |
| InChIK | AUAHLIBWGDCGLY-UHFFFAOYSA-N |
| TotalMolweight | 251.309 |
| Molweight | 251.309 |
| MonoisotopicMass | 251.072847 |
| CLogP | 0.8106 |
| CLogS | -2.955 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 201.87 |
| Relative PSA | 0.4382 |
| PolarSurfaceArea | 102.32 |
| Druglikeness | 3.1481 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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