[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino] benzoate
Formula:C16H14N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino] benzoate |
| MolecularFormula | C16H14N2O4 |
| Smiles | NC(COc1ccc(/C=N\OC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H14N2O4/c17-15(19)11-21-14-8-6-12(7-9-14)10-18-22-16(20)13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,19) |
| InChIK | DEBQNGNIFSDYNF-UHFFFAOYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 2.5803 |
| CLogS | -3.64 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.56 |
| Relative PSA | 0.30931 |
| PolarSurfaceArea | 90.98 |
| Druglikeness | -2.6428 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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