(E)-[(4-chlorophenyl)hydrazinylidene]thiourea
Formula:C7H7N4ClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(E)-[(4-chlorophenyl)hydrazinylidene]thiourea is a drug-like molecule.
| MolName | (E)-[(4-chlorophenyl)hydrazinylidene]thiourea |
| MolecularFormula | C7H7N4ClS |
| Smiles | NC(/N=N/Nc(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C7H7ClN4S/c8-5-1-3-6(4-2-5)10-12-11-7(9)13/h1-4H,(H3,9,10,11,13) |
| InChIK | HPBAJYADQMYQNF-UHFFFAOYSA-N |
| TotalMolweight | 214.68 |
| Molweight | 214.68 |
| MonoisotopicMass | 214.007993 |
| CLogP | 3.7793 |
| CLogS | -2.722 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 164.39 |
| Relative PSA | 0.47296 |
| PolarSurfaceArea | 94.86 |
| Druglikeness | -4.4865 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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