3-[(Z)-N-anilino-C-benzoylcarbonimidoyl]-1,4-benzoxazin-2-one
Formula:C22H15N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-N-anilino-C-benzoylcarbonimidoyl]-1,4-benzoxazin-2-one is a drug-like molecule.
| MolName | 3-[(Z)-N-anilino-C-benzoylcarbonimidoyl]-1,4-benzoxazin-2-one |
| MolecularFormula | C22H15N3O3 |
| Smiles | O=C(/C(/C1=Nc(cccc2)c2OC1=O)=N\Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H15N3O3/c26-21(15-9-3-1-4-10-15)19(25-24-16-11-5-2-6-12-16)20-22(27)28-18-14-8-7-13-17(18)23-20/h1-14,24H |
| InChIK | FOIOQRDLZZMGHE-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.111342 |
| CLogP | 4.2152 |
| CLogS | -4.417 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.18 |
| Relative PSA | 0.25005 |
| PolarSurfaceArea | 80.12 |
| Druglikeness | 2.0805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-[(Z)-N-anilino-C-benzoylcarbonimidoyl]-1,4-benzoxazin-2-one | 2 - 3-[(Z)-N-anilino-C-benzoylcarbonimidoyl]-1,4-benzoxazin-2-one
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