1-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-phenylurea
Formula:C18H14N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H14N3O2ClS |
| Smiles | O=C(Nc1ccccc1)N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H14ClN3O2S/c19-13-6-9-16(10-7-13)25-17-11-8-15(24-17)12-20-22-18(23)21-14-4-2-1-3-5-14/h1-12H,(H2,21,22,23) |
| InChIK | LUXSXNKJNXTNFE-UHFFFAOYSA-N |
| TotalMolweight | 371.847 |
| Molweight | 371.847 |
| MonoisotopicMass | 371.049524 |
| CLogP | 4.9087 |
| CLogS | -6.204 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.81 |
| Relative PSA | 0.28158 |
| PolarSurfaceArea | 91.93 |
| Druglikeness | 6.2186 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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