[[(3E)-3-amino-3-benzoyloxyiminopropanoyl]amino] benzoate
Formula:C17H15N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[[(3E)-3-amino-3-benzoyloxyiminopropanoyl]amino] benzoate is a drug-like molecule.
| MolName | [[(3E)-3-amino-3-benzoyloxyiminopropanoyl]amino] benzoate |
| MolecularFormula | C17H15N3O5 |
| Smiles | N/C(/CC(NOC(c1ccccc1)=O)=O)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C17H15N3O5/c18-14(19-24-16(22)12-7-3-1-4-8-12)11-15(21)20-25-17(23)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19)(H,20,21) |
| InChIK | OGVLASGSFDFSCU-UHFFFAOYSA-N |
| TotalMolweight | 341.322 |
| Molweight | 341.322 |
| MonoisotopicMass | 341.101172 |
| CLogP | 1.9958 |
| CLogS | -3.842 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 262.98 |
| Relative PSA | 0.37022 |
| PolarSurfaceArea | 120.08 |
| Druglikeness | -1.7791 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-acyloxy-amide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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