[(E)-[amino-(2-chlorophenyl)methylidene]amino] cyclohexanecarboxylate
Formula:C14H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(2-chlorophenyl)methylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2-chlorophenyl)methylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C14H17N2O2Cl |
| Smiles | N/C(/c(cccc1)c1Cl)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C14H17ClN2O2/c15-12-9-5-4-8-11(12)13(16)17-19-14(18)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,16,17) |
| InChIK | JFBJHTLLJIHOPX-UHFFFAOYSA-N |
| TotalMolweight | 280.754 |
| Molweight | 280.754 |
| MonoisotopicMass | 280.097855 |
| CLogP | 3.5784 |
| CLogS | -4.428 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.72 |
| Relative PSA | 0.23095 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.4313 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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