N-[(Z)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C15H17N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C15H17N2OCl |
| Smiles | O=C(C1C2C1CCCC2)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C15H17ClN2O/c16-11-5-3-4-10(8-11)9-17-18-15(19)14-12-6-1-2-7-13(12)14/h3-5,8-9,12-14H,1-2,6-7H2,(H,18,19) |
| InChIK | OFBYMBUHMQNIGO-UHFFFAOYSA-N |
| TotalMolweight | 276.766 |
| Molweight | 276.766 |
| MonoisotopicMass | 276.10294 |
| CLogP | 3.6113 |
| CLogS | -4.749 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.19 |
| Relative PSA | 0.17297 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.19618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[(Z)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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