[(E)-2-(1-phenyltetrazol-5-yl)ethylideneamino]thiourea
Formula:C10H11N7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-(1-phenyltetrazol-5-yl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-2-(1-phenyltetrazol-5-yl)ethylideneamino]thiourea |
| MolecularFormula | C10H11N7S |
| Smiles | NC(N/N=C/Cc1nnnn1-c1ccccc1)=S |
| InChI | InChI=1S/C10H11N7S/c11-10(18)14-12-7-6-9-13-15-16-17(9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,14,18) |
| InChIK | JKRHBFAGAGJVES-UHFFFAOYSA-N |
| TotalMolweight | 261.312 |
| Molweight | 261.312 |
| MonoisotopicMass | 261.079663 |
| CLogP | 0.0073 |
| CLogS | -2.368 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 209.71 |
| Relative PSA | 0.50556 |
| PolarSurfaceArea | 126.1 |
| Druglikeness | 1.7564 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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