1-benzyl-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
Formula:C19H16N3OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-benzyl-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea |
| MolecularFormula | C19H16N3OClS |
| Smiles | S=C(NCc1ccccc1)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C19H16ClN3OS/c20-16-8-6-15(7-9-16)18-11-10-17(24-18)13-22-23-19(25)21-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,21,23,25) |
| InChIK | PMGNDEGDWZVUSN-UHFFFAOYSA-N |
| TotalMolweight | 369.875 |
| Molweight | 369.875 |
| MonoisotopicMass | 369.070259 |
| CLogP | 4.8465 |
| CLogS | -6.333 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 292.04 |
| Relative PSA | 0.26209 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 4.8386 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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