1-amino-3-[(Z)-(4-chlorophenyl)methylideneamino]thiourea
Formula:C8H9N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-amino-3-[(Z)-(4-chlorophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-amino-3-[(Z)-(4-chlorophenyl)methylideneamino]thiourea |
| MolecularFormula | C8H9N4ClS |
| Smiles | NNC(N/N=C\c(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C8H9ClN4S/c9-7-3-1-6(2-4-7)5-11-13-8(14)12-10/h1-5H,10H2,(H2,12,13,14) |
| InChIK | AGQHKBGGNXPYKJ-UHFFFAOYSA-N |
| TotalMolweight | 228.706 |
| Molweight | 228.706 |
| MonoisotopicMass | 228.023643 |
| CLogP | 1.3739 |
| CLogS | -3.911 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 177.59 |
| Relative PSA | 0.43752 |
| PolarSurfaceArea | 94.53 |
| Druglikeness | -1.0425 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | hydrazine; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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