3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C19H18N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C19H18N4O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N(C(C2(CCCCC2)N2)=O)C2=O)o1)=O |
| InChI | InChI=1S/C19H18N4O5/c24-17-19(10-2-1-3-11-19)21-18(25)22(17)20-12-15-8-9-16(28-15)13-4-6-14(7-5-13)23(26)27/h4-9,12H,1-3,10-11H2,(H,21,25) |
| InChIK | ZIDLUHXKHAYVNH-UHFFFAOYSA-N |
| TotalMolweight | 382.375 |
| Molweight | 382.375 |
| MonoisotopicMass | 382.127721 |
| CLogP | 2.1681 |
| CLogS | -5.656 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 280.61 |
| Relative PSA | 0.34614 |
| PolarSurfaceArea | 120.73 |
| Druglikeness | -1.3025 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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