[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] cyclohexanecarboxylate
Formula:C15H19N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C15H19N2O2Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C15H19ClN2O2/c16-13-8-6-11(7-9-13)10-14(17)18-20-15(19)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18) |
| InChIK | OABDDURBHVWGAX-UHFFFAOYSA-N |
| TotalMolweight | 294.781 |
| Molweight | 294.781 |
| MonoisotopicMass | 294.113505 |
| CLogP | 3.5765 |
| CLogS | -4.393 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.48 |
| Relative PSA | 0.2171 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -6.4477 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] cyclohexanecarboxylate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] cyclohexanecarboxylate
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