3-[(Z)-(4-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H16N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(4-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(4-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H16N3O2Br |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H16BrN3O2/c16-12-6-4-11(5-7-12)10-17-19-13(20)15(18-14(19)21)8-2-1-3-9-15/h4-7,10H,1-3,8-9H2,(H,18,21) |
| InChIK | UGDUJILMCVPJSX-UHFFFAOYSA-N |
| TotalMolweight | 350.215 |
| Molweight | 350.215 |
| MonoisotopicMass | 349.042588 |
| CLogP | 2.876 |
| CLogS | -4.57 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.12 |
| Relative PSA | 0.23262 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -0.23767 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-(4-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(4-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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