[(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
Formula:C17H14N3O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate |
| MolecularFormula | C17H14N3O4Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(CCN(c(cccc1)c1O1)C1=O)=O |
| InChI | InChI=1S/C17H14ClN3O4/c18-12-7-5-11(6-8-12)16(19)20-25-15(22)9-10-21-13-3-1-2-4-14(13)24-17(21)23/h1-8H,9-10H2,(H2,19,20) |
| InChIK | BWHKPTVZRAMPIR-UHFFFAOYSA-N |
| TotalMolweight | 359.768 |
| Molweight | 359.768 |
| MonoisotopicMass | 359.067284 |
| CLogP | 3.5777 |
| CLogS | -5.18 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.75 |
| Relative PSA | 0.29417 |
| PolarSurfaceArea | 94.22 |
| Druglikeness | -5.3723 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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