N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide
Formula:C15H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide |
| MolecularFormula | C15H15N3O5 |
| Smiles | [O-][N+](c1c(/C=N\NC(C(C2)C22CCC2)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C15H15N3O5/c19-14(10-6-15(10)2-1-3-15)17-16-7-9-4-12-13(23-8-22-12)5-11(9)18(20)21/h4-5,7,10H,1-3,6,8H2,(H,17,19)/t10-/m1/s1 |
| InChIK | GZRPKKZUSPUCLN-SNVBAGLBSA-N |
| TotalMolweight | 317.3 |
| Molweight | 317.3 |
| MonoisotopicMass | 317.101172 |
| CLogP | 1.9153 |
| CLogS | -4.931 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 222.11 |
| Relative PSA | 0.38913 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -0.69359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide | 2 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[2.3]hexane-2-carboxamide
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