1-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenylthiourea
Formula:C20H17N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenylthiourea |
| MolecularFormula | C20H17N3OS |
| Smiles | S=C(Nc1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H17N3OS/c25-20(22-17-9-3-1-4-10-17)23-21-15-16-8-7-13-19(14-16)24-18-11-5-2-6-12-18/h1-15H,(H2,22,23,25) |
| InChIK | RVDXHSQHRRYPJR-UHFFFAOYSA-N |
| TotalMolweight | 347.441 |
| Molweight | 347.441 |
| MonoisotopicMass | 347.109232 |
| CLogP | 4.9878 |
| CLogS | -6.618 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 283.17 |
| Relative PSA | 0.25578 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 2.0645 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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