1-benzyl-3-[(Z)-(3-bromophenyl)methylideneamino]thiourea
Formula:C15H14N3BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-(3-bromophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(3-bromophenyl)methylideneamino]thiourea |
| MolecularFormula | C15H14N3BrS |
| Smiles | S=C(NCc1ccccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H14BrN3S/c16-14-8-4-7-13(9-14)11-18-19-15(20)17-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,17,19,20) |
| InChIK | PYSWZZUAAIQRQO-UHFFFAOYSA-N |
| TotalMolweight | 348.267 |
| Molweight | 348.267 |
| MonoisotopicMass | 347.009178 |
| CLogP | 4.0268 |
| CLogS | -4.971 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 245.8 |
| Relative PSA | 0.25399 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.86551 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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