[(Z)-(2-pyridin-2-ylcyclohexylidene)amino]thiourea
Formula:C12H16N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-pyridin-2-ylcyclohexylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2-pyridin-2-ylcyclohexylidene)amino]thiourea |
| MolecularFormula | C12H16N4S |
| Smiles | NC(N/N=C(/CCCC1)\C1c1ncccc1)=S |
| InChI | InChI=1S/C12H16N4S/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)/t9-/m1/s1 |
| InChIK | HIOOQWNERNJXSZ-SECBINFHSA-N |
| TotalMolweight | 248.353 |
| Molweight | 248.353 |
| MonoisotopicMass | 248.109566 |
| CLogP | 2.0802 |
| CLogS | -3.222 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 201.72 |
| Relative PSA | 0.38276 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | -3.4624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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