[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate
Formula:C19H15N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate |
| MolecularFormula | C19H15N2O3Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(COc1cccc2ccccc12)=O |
| InChI | InChI=1S/C19H15ClN2O3/c20-15-10-8-14(9-11-15)19(21)22-25-18(23)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22) |
| InChIK | KXDZWABHZZYQIB-UHFFFAOYSA-N |
| TotalMolweight | 354.792 |
| Molweight | 354.792 |
| MonoisotopicMass | 354.07712 |
| CLogP | 4.4474 |
| CLogS | -5.658 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.04 |
| Relative PSA | 0.22485 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -2.5475 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate
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