2-[(Z)-(4-chlorophenyl)methylideneamino]oxyacetic acid
Formula:C9H8NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(4-chlorophenyl)methylideneamino]oxyacetic acid is a drug-like molecule.
| MolName | 2-[(Z)-(4-chlorophenyl)methylideneamino]oxyacetic acid |
| MolecularFormula | C9H8NO3Cl |
| Smiles | OC(CO/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C9H8ClNO3/c10-8-3-1-7(2-4-8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13) |
| InChIK | XDAGIYLKQAPEQR-UHFFFAOYSA-N |
| TotalMolweight | 213.62 |
| Molweight | 213.62 |
| MonoisotopicMass | 213.019271 |
| CLogP | 2.1536 |
| CLogS | -2.83 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 161.3 |
| Relative PSA | 0.29541 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.59098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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