[(E)-[amino-(4-iodophenyl)methylidene]amino] cyclohexanecarboxylate
Formula:C14H17N2O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-iodophenyl)methylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C14H17N2O2I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C14H17IN2O2/c15-12-8-6-10(7-9-12)13(16)17-19-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,16,17) |
| InChIK | CKHFWOLVINHRNY-UHFFFAOYSA-N |
| TotalMolweight | 372.201 |
| Molweight | 372.201 |
| MonoisotopicMass | 372.033476 |
| CLogP | 3.4095 |
| CLogS | -4.708 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.58 |
| Relative PSA | 0.21988 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -5.9879 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| 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 | 4 |
| StereoCon |
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