1-amino-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea
Formula:C11H11N5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-amino-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-amino-3-[(Z)-quinolin-4-ylmethylideneamino]thiourea |
| MolecularFormula | C11H11N5S |
| Smiles | NNC(N/N=C\c1ccnc2ccccc12)=S |
| InChI | InChI=1S/C11H11N5S/c12-15-11(17)16-14-7-8-5-6-13-10-4-2-1-3-9(8)10/h1-7H,12H2,(H2,15,16,17) |
| InChIK | XEMUDXTXKGJNLK-UHFFFAOYSA-N |
| TotalMolweight | 245.309 |
| Molweight | 245.309 |
| MonoisotopicMass | 245.073515 |
| CLogP | 1.0839 |
| CLogS | -3.881 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 195.53 |
| Relative PSA | 0.45349 |
| PolarSurfaceArea | 107.42 |
| Druglikeness | -1.0726 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | hydrazine; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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