3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H15N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H15N4O4Cl |
| Smiles | [O-][N+](c(cc(/C=N\N(C(C1(CCCCC1)N1)=O)C1=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H15ClN4O4/c16-11-5-4-10(8-12(11)20(23)24)9-17-19-13(21)15(18-14(19)22)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,18,22) |
| InChIK | JTYWJPYWSDHRAG-UHFFFAOYSA-N |
| TotalMolweight | 350.761 |
| Molweight | 350.761 |
| MonoisotopicMass | 350.078183 |
| CLogP | 1.8352 |
| CLogS | -4.932 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 246.58 |
| Relative PSA | 0.33669 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | -3.4636 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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