(1Z)-1-[anilino(phenyl)methylidene]-3-phenylthiourea
Formula:C20H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-[anilino(phenyl)methylidene]-3-phenylthiourea is a drug-like molecule.
| MolName | (1Z)-1-[anilino(phenyl)methylidene]-3-phenylthiourea |
| MolecularFormula | C20H17N3S |
| Smiles | S=C(Nc1ccccc1)/N=C(/c1ccccc1)\Nc1ccccc1 |
| InChI | InChI=1S/C20H17N3S/c24-20(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H2,21,22,23,24) |
| InChIK | SRAXJVRQKOKBMO-UHFFFAOYSA-N |
| TotalMolweight | 331.442 |
| Molweight | 331.442 |
| MonoisotopicMass | 331.114317 |
| CLogP | 4.8246 |
| CLogS | -5.236 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 271.38 |
| Relative PSA | 0.23005 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -0.3895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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