1-(2,6-dichlorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea
Formula:C18H13N3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(2,6-dichlorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-(2,6-dichlorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea |
| MolecularFormula | C18H13N3Cl2S |
| Smiles | S=C(Nc(c(Cl)ccc1)c1Cl)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C18H13Cl2N3S/c19-15-9-4-10-16(20)17(15)22-18(24)23-21-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H2,22,23,24) |
| InChIK | GHRXVIPWGQAFPJ-UHFFFAOYSA-N |
| TotalMolweight | 374.294 |
| Molweight | 374.294 |
| MonoisotopicMass | 373.020721 |
| CLogP | 5.9986 |
| CLogS | -7.399 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 278.85 |
| Relative PSA | 0.22388 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 2.2636 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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