[(Z)-(2-pyridin-2-ylcyclopentylidene)amino]thiourea
Formula:C11H14N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-pyridin-2-ylcyclopentylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2-pyridin-2-ylcyclopentylidene)amino]thiourea |
| MolecularFormula | C11H14N4S |
| Smiles | NC(N/N=C(/CCC1)\C1c1ncccc1)=S |
| InChI | InChI=1S/C11H14N4S/c12-11(16)15-14-10-6-3-4-8(10)9-5-1-2-7-13-9/h1-2,5,7-8H,3-4,6H2,(H3,12,15,16)/t8-/m1/s1 |
| InChIK | OBYIXFFOUJKPGI-MRVPVSSYSA-N |
| TotalMolweight | 234.326 |
| Molweight | 234.326 |
| MonoisotopicMass | 234.093916 |
| CLogP | 1.7382 |
| CLogS | -2.952 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 187.96 |
| Relative PSA | 0.41078 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | -1.1324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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