N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]cyclohexanecarboxamide
Formula:C12H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C12H15N2OClS |
| Smiles | O=C(C1CCCCC1)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C12H15ClN2OS/c13-11-7-6-10(17-11)8-14-15-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16) |
| InChIK | MWAAMEFLRGKGIN-UHFFFAOYSA-N |
| TotalMolweight | 270.783 |
| Molweight | 270.783 |
| MonoisotopicMass | 270.05936 |
| CLogP | 3.7792 |
| CLogS | -4.64 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.39 |
| Relative PSA | 0.27312 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 1.3493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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