[(E)-[amino(phenyl)methylidene]amino] cyclohexanecarboxylate
Formula:C14H18N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C14H18N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C14H18N2O2/c15-13(11-7-3-1-4-8-11)16-18-14(17)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,15,16) |
| InChIK | LZQJFTSCAPTSMQ-UHFFFAOYSA-N |
| TotalMolweight | 246.309 |
| Molweight | 246.309 |
| MonoisotopicMass | 246.136828 |
| CLogP | 2.9724 |
| CLogS | -3.692 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.3 |
| Relative PSA | 0.24873 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.5099 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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