[(Z)-quinolin-4-ylmethylideneamino]thiourea
Formula:C11H10N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-quinolin-4-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-quinolin-4-ylmethylideneamino]thiourea |
| MolecularFormula | C11H10N4S |
| Smiles | NC(N/N=C\c1ccnc2ccccc12)=S |
| InChI | InChI=1S/C11H10N4S/c12-11(16)15-14-7-8-5-6-13-10-4-2-1-3-9(8)10/h1-7H,(H3,12,15,16) |
| InChIK | LFXGLMRLNCYHNO-UHFFFAOYSA-N |
| TotalMolweight | 230.294 |
| Molweight | 230.294 |
| MonoisotopicMass | 230.062616 |
| CLogP | 1.848 |
| CLogS | -3.604 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 184.07 |
| Relative PSA | 0.41946 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 2.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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