3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C16H16N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C16H16N3O2F3 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H16F3N3O2/c17-16(18,19)12-6-4-5-11(9-12)10-20-22-13(23)15(21-14(22)24)7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2,(H,21,24) |
| InChIK | LMLYAEKSLGEFJT-UHFFFAOYSA-N |
| TotalMolweight | 339.316 |
| Molweight | 339.316 |
| MonoisotopicMass | 339.119461 |
| CLogP | 2.9991 |
| CLogS | -4.514 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.95 |
| Relative PSA | 0.22199 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -5.6377 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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