[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
Formula:C19H17N3OS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C19H17N3OS |
| Smiles | NC(N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)=S |
| InChI | InChI=1S/C19H17N3OS/c20-19(24)22-21-12-14-5-3-9-17(11-14)23-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H3,20,22,24) |
| InChIK | UWPAOOMTARMHSV-UHFFFAOYSA-N |
| TotalMolweight | 335.43 |
| Molweight | 335.43 |
| MonoisotopicMass | 335.109232 |
| CLogP | 4.0745 |
| CLogS | -5.845 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.83 |
| Relative PSA | 0.2836 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 1.8 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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