1-(2-chlorophenyl)-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
Formula:C19H15N4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2-chlorophenyl)-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea is a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea |
| MolecularFormula | C19H15N4ClS |
| Smiles | S=C(Nc(cccc1)c1Cl)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C19H15ClN4S/c20-15-10-4-5-11-16(15)22-19(25)24-23-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13H,(H2,22,24,25) |
| InChIK | NUGHTOYKAXQEHF-UHFFFAOYSA-N |
| TotalMolweight | 366.875 |
| Molweight | 366.875 |
| MonoisotopicMass | 366.070593 |
| CLogP | 4.448 |
| CLogS | -6.062 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.56 |
| Relative PSA | 0.25704 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 1.388 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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