1-cyclohexyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
Formula:C19H22N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-cyclohexyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea |
| MolecularFormula | C19H22N4S |
| Smiles | S=C(NC1CCCCC1)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C19H22N4S/c24-19(21-16-11-5-2-6-12-16)23-22-18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,23,24) |
| InChIK | QRVOKRYDDPQVGY-UHFFFAOYSA-N |
| TotalMolweight | 338.478 |
| Molweight | 338.478 |
| MonoisotopicMass | 338.156516 |
| CLogP | 3.689 |
| CLogS | -5.393 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.18 |
| Relative PSA | 0.26386 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | -3.5847 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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