[(E)-[amino(phenyl)methylidene]amino] 4-phenoxybutanoate
Formula:C17H18N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 4-phenoxybutanoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 4-phenoxybutanoate |
| MolecularFormula | C17H18N2O3 |
| Smiles | N/C(/c1ccccc1)=N/OC(CCCOc1ccccc1)=O |
| InChI | InChI=1S/C17H18N2O3/c18-17(14-8-3-1-4-9-14)19-22-16(20)12-7-13-21-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H2,18,19) |
| InChIK | MKNLBAAYTVOHKM-UHFFFAOYSA-N |
| TotalMolweight | 298.341 |
| Molweight | 298.341 |
| MonoisotopicMass | 298.131743 |
| CLogP | 3.5558 |
| CLogS | -3.856 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.54 |
| Relative PSA | 0.24563 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -8.8373 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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