N-[(E)-(3-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
Formula:C14H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(3-chlorophenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide |
| MolecularFormula | C14H15N2OCl |
| Smiles | O=C(C(C1)C11CCC1)N/N=C/c1cccc(Cl)c1 |
| InChI | InChI=1S/C14H15ClN2O/c15-11-4-1-3-10(7-11)9-16-17-13(18)12-8-14(12)5-2-6-14/h1,3-4,7,9,12H,2,5-6,8H2,(H,17,18)/t12-/m1/s1 |
| InChIK | BDQHXFXNYXMSEV-GFCCVEGCSA-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 | racemate |
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