1-phenyl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea
Formula:C17H14N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-phenyl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-phenyl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea |
| MolecularFormula | C17H14N4S |
| Smiles | S=C(Nc1ccccc1)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C17H14N4S/c22-17(20-15-6-2-1-3-7-15)21-19-12-13-8-9-16-14(11-13)5-4-10-18-16/h1-12H,(H2,20,21,22) |
| InChIK | FAKZZIYGYDHZGZ-UHFFFAOYSA-N |
| TotalMolweight | 306.392 |
| Molweight | 306.392 |
| MonoisotopicMass | 306.093916 |
| CLogP | 3.9082 |
| CLogS | -5.027 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.77 |
| Relative PSA | 0.29744 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 2.2325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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