1-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea
Formula:C21H19N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C21H19N3OS |
| Smiles | S=C(Nc1ccccc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H19N3OS/c26-21(23-19-9-5-2-6-10-19)24-22-15-17-11-13-20(14-12-17)25-16-18-7-3-1-4-8-18/h1-15H,16H2,(H2,23,24,26) |
| InChIK | DFOLEGAOCWFUAD-UHFFFAOYSA-N |
| TotalMolweight | 361.468 |
| Molweight | 361.468 |
| MonoisotopicMass | 361.124882 |
| CLogP | 4.9403 |
| CLogS | -5.662 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 296.93 |
| Relative PSA | 0.24393 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 1.8021 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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