2-(1-hydroxycyclohexyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C15H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-hydroxycyclohexyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-hydroxycyclohexyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H19N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CC2(CCCCC2)O)=O)ccc1)=O |
| InChI | InChI=1S/C15H19N3O4/c19-14(10-15(20)7-2-1-3-8-15)17-16-11-12-5-4-6-13(9-12)18(21)22/h4-6,9,11,20H,1-3,7-8,10H2,(H,17,19) |
| InChIK | UROUMWQGZPTXFW-UHFFFAOYSA-N |
| TotalMolweight | 305.333 |
| Molweight | 305.333 |
| MonoisotopicMass | 305.137557 |
| CLogP | 1.8113 |
| CLogS | -4.157 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 236.72 |
| Relative PSA | 0.33597 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -4.3779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1-hydroxycyclohexyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-(1-hydroxycyclohexyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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