[(Z)-(1-benzylimidazol-2-yl)methylideneamino]thiourea
Formula:C12H13N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-benzylimidazol-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(1-benzylimidazol-2-yl)methylideneamino]thiourea |
| MolecularFormula | C12H13N5S |
| Smiles | NC(N/N=C\c1nccn1Cc1ccccc1)=S |
| InChI | InChI=1S/C12H13N5S/c13-12(18)16-15-8-11-14-6-7-17(11)9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,13,16,18) |
| InChIK | VAEPVBDBLDGKLQ-UHFFFAOYSA-N |
| TotalMolweight | 259.336 |
| Molweight | 259.336 |
| MonoisotopicMass | 259.089165 |
| CLogP | 1.072 |
| CLogS | -1.45 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 212.19 |
| Relative PSA | 0.39625 |
| PolarSurfaceArea | 100.32 |
| Druglikeness | 4.3256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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