[(Z)-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
Formula:C15H12N3OBr2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea |
| MolecularFormula | C15H12N3OBr2FS |
| Smiles | NC(N/N=C\c(cc1Br)cc(Br)c1OCc(cc1)ccc1F)=S |
| InChI | InChI=1S/C15H12Br2FN3OS/c16-12-5-10(7-20-21-15(19)23)6-13(17)14(12)22-8-9-1-3-11(18)4-2-9/h1-7H,8H2,(H3,19,21,23) |
| InChIK | ZXXWXMPMWCHZSK-UHFFFAOYSA-N |
| TotalMolweight | 461.152 |
| Molweight | 461.152 |
| MonoisotopicMass | 458.905182 |
| CLogP | 4.4313 |
| CLogS | -6.221 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 277.84 |
| Relative PSA | 0.2744 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | -1.33 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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