N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C15H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C15H16N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C2C3C2CCCC3)=O)c1Cl)=O |
| InChI | InChI=1S/C15H16ClN3O3/c16-13-6-5-10(19(21)22)7-9(13)8-17-18-15(20)14-11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2,(H,18,20) |
| InChIK | HQRKGHHCRAFOST-UHFFFAOYSA-N |
| TotalMolweight | 321.763 |
| Molweight | 321.763 |
| MonoisotopicMass | 321.088019 |
| CLogP | 2.6897 |
| CLogS | -5.209 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 231.86 |
| Relative PSA | 0.28651 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -4.9503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-chloro-5-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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