1-(2-chlorophenyl)-3-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]thiourea
Formula:C17H12N4Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2-chlorophenyl)-3-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-3-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]thiourea |
| MolecularFormula | C17H12N4Cl2S |
| Smiles | S=C(Nc(cccc1)c1Cl)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C17H12Cl2N4S/c18-13-6-2-4-8-15(13)22-17(24)23-20-10-12-9-11-5-1-3-7-14(11)21-16(12)19/h1-10H,(H2,22,23,24) |
| InChIK | NYKAHRDOFCSCQG-UHFFFAOYSA-N |
| TotalMolweight | 375.282 |
| Molweight | 375.282 |
| MonoisotopicMass | 374.01597 |
| CLogP | 5.2176 |
| CLogS | -6.262 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 277.61 |
| Relative PSA | 0.2644 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 2.2636 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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