[(Z)-(4-phenoxyphenyl)methylideneamino]thiourea
Formula:C14H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-phenoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(4-phenoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C14H13N3OS |
| Smiles | NC(N/N=C\c(cc1)ccc1Oc1ccccc1)=S |
| InChI | InChI=1S/C14H13N3OS/c15-14(19)17-16-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H3,15,17,19) |
| InChIK | YRXPMAFIWJEHEQ-UHFFFAOYSA-N |
| TotalMolweight | 271.343 |
| Molweight | 271.343 |
| MonoisotopicMass | 271.077932 |
| CLogP | 2.9276 |
| CLogS | -5.195 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 220.47 |
| Relative PSA | 0.34581 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 2.0804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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