[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethylideneamino]thiourea
Formula:C10H10N7ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethylideneamino]thiourea |
| MolecularFormula | C10H10N7ClS |
| Smiles | NC(N/N=C/Cc1nnnn1-c(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C10H10ClN7S/c11-7-1-3-8(4-2-7)18-9(14-16-17-18)5-6-13-15-10(12)19/h1-4,6H,5H2,(H3,12,15,19) |
| InChIK | HSMFLMZHXLMQJD-UHFFFAOYSA-N |
| TotalMolweight | 295.757 |
| Molweight | 295.757 |
| MonoisotopicMass | 295.04069 |
| CLogP | 0.6133 |
| CLogS | -3.104 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 225.13 |
| Relative PSA | 0.47093 |
| PolarSurfaceArea | 126.1 |
| Druglikeness | 1.7826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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