[(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]thiourea
Formula:C9H9N3OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C9H9N3OF2S |
| Smiles | NC(N/N=C\c1cc(OC(F)F)ccc1)=S |
| InChI | InChI=1S/C9H9F2N3OS/c10-8(11)15-7-3-1-2-6(4-7)5-13-14-9(12)16/h1-5,8H,(H3,12,14,16) |
| InChIK | JECPIJFCMAEBRC-UHFFFAOYSA-N |
| TotalMolweight | 245.252 |
| Molweight | 245.252 |
| MonoisotopicMass | 245.043438 |
| CLogP | 1.7014 |
| CLogS | -3.52 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 185.91 |
| Relative PSA | 0.41009 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | -0.64973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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