1-pyridin-3-yl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea
Formula:C16H13N5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-pyridin-3-yl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-pyridin-3-yl-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea |
| MolecularFormula | C16H13N5S |
| Smiles | S=C(Nc1cnccc1)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C16H13N5S/c22-16(20-14-4-2-7-17-11-14)21-19-10-12-5-6-15-13(9-12)3-1-8-18-15/h1-11H,(H2,20,21,22) |
| InChIK | OFWOKNMDCBXJTJ-UHFFFAOYSA-N |
| TotalMolweight | 307.38 |
| Molweight | 307.38 |
| MonoisotopicMass | 307.089165 |
| CLogP | 2.9073 |
| CLogS | -4.232 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.53 |
| Relative PSA | 0.34362 |
| PolarSurfaceArea | 94.29 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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