[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
Formula:C13H12N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea |
| MolecularFormula | C13H12N4S |
| Smiles | NC(N/N=C(/c1ccccc1)\c1ncccc1)=S |
| InChI | InChI=1S/C13H12N4S/c14-13(18)17-16-12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9H,(H3,14,17,18) |
| InChIK | DJSSWOPZTQTBBW-UHFFFAOYSA-N |
| TotalMolweight | 256.332 |
| Molweight | 256.332 |
| MonoisotopicMass | 256.078266 |
| CLogP | 1.7818 |
| CLogS | -3.903 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.44 |
| Relative PSA | 0.3722 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 1.3448 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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