N-[(Z)-(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C15H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C15H17N3O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(C2C3C2CCCC3)=O)cccc1)=O |
| InChI | InChI=1S/C15H17N3O3/c19-15(14-11-6-2-3-7-12(11)14)17-16-9-10-5-1-4-8-13(10)18(20)21/h1,4-5,8-9,11-12,14H,2-3,6-7H2,(H,17,19) |
| InChIK | IQBZYIOEAGTXDM-UHFFFAOYSA-N |
| TotalMolweight | 287.318 |
| Molweight | 287.318 |
| MonoisotopicMass | 287.126992 |
| CLogP | 2.0837 |
| CLogS | -4.473 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 216.44 |
| Relative PSA | 0.30692 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -4.9757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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