[(Z)-(4-phenylmethoxyphenyl)methylideneamino] 4-chlorobenzoate
Formula:C21H16NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(4-phenylmethoxyphenyl)methylideneamino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(4-phenylmethoxyphenyl)methylideneamino] 4-chlorobenzoate |
| MolecularFormula | C21H16NO3Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H16ClNO3/c22-19-10-8-18(9-11-19)21(24)26-23-14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2 |
| InChIK | DIQLGPYPJBTFJT-UHFFFAOYSA-N |
| TotalMolweight | 365.815 |
| Molweight | 365.815 |
| MonoisotopicMass | 365.081871 |
| CLogP | 5.8722 |
| CLogS | -5.848 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.47 |
| Relative PSA | 0.15661 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -3.4541 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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