3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H15N3O2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H15N3O2ClF |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C15H15ClFN3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22) |
| InChIK | CZRBAUUJSKASRI-UHFFFAOYSA-N |
| TotalMolweight | 323.754 |
| Molweight | 323.754 |
| MonoisotopicMass | 323.083682 |
| CLogP | 2.8576 |
| CLogS | -4.786 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 229.26 |
| Relative PSA | 0.22943 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 0.24491 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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