(2S)-N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
Formula:C14H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide |
| MolecularFormula | C14H15N2OCl |
| Smiles | O=C([C@@H](C1)C11CCC1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C14H15ClN2O/c15-12-5-2-1-4-10(12)9-16-17-13(18)11-8-14(11)6-3-7-14/h1-2,4-5,9,11H,3,6-8H2,(H,17,18)/t11-/m1/s1 |
| InChIK | XYYRJNOPDNMDMF-LLVKDONJSA-N |
| TotalMolweight | 262.739 |
| Molweight | 262.739 |
| MonoisotopicMass | 262.08729 |
| CLogP | 3.3315 |
| CLogS | -4.496 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.6 |
| Relative PSA | 0.186 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.5836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide | 2 - (2S)-N-[(Z)-(2-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
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