[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]thiourea
Formula:C15H14N3OBrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C15H14N3OBrS |
| Smiles | NC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=S |
| InChI | InChI=1S/C15H14BrN3OS/c16-13-6-7-14(12(8-13)9-18-19-15(17)21)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,17,19,21) |
| InChIK | DNHOAICBMJLPMD-UHFFFAOYSA-N |
| TotalMolweight | 364.266 |
| Molweight | 364.266 |
| MonoisotopicMass | 363.004093 |
| CLogP | 3.6053 |
| CLogS | -5.073 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 252.86 |
| Relative PSA | 0.30151 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 0.0099967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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