[(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
Formula:C19H16N3OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C19H16N3OBrS |
| Smiles | NC(N/N=C\c(cc(cc1)Br)c1OCc1cccc2ccccc12)=S |
| InChI | InChI=1S/C19H16BrN3OS/c20-16-8-9-18(15(10-16)11-22-23-19(21)25)24-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,25) |
| InChIK | UUNXWCRYGHQCSY-UHFFFAOYSA-N |
| TotalMolweight | 414.326 |
| Molweight | 414.326 |
| MonoisotopicMass | 413.019743 |
| CLogP | 4.7997 |
| CLogS | -6.679 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 287.46 |
| Relative PSA | 0.26522 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 0.0099967 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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