1-(2,4-dichlorophenyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
Formula:C20H15N3OCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2,4-dichlorophenyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-(2,4-dichlorophenyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C20H15N3OCl2S |
| Smiles | S=C(Nc(ccc(Cl)c1)c1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H15Cl2N3OS/c21-15-9-10-19(18(22)12-15)24-20(27)25-23-13-14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-13H,(H2,24,25,27) |
| InChIK | CDMVELGBNZBSHO-UHFFFAOYSA-N |
| TotalMolweight | 416.331 |
| Molweight | 416.331 |
| MonoisotopicMass | 415.031286 |
| CLogP | 6.1998 |
| CLogS | -8.09 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 314.01 |
| Relative PSA | 0.23066 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 2.1153 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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