1-[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone
Formula:C17H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone is a drug-like molecule.
| MolName | 1-[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone |
| MolecularFormula | C17H15N2O2Cl |
| Smiles | O/N=C(\CC1)/c(cc(cc2)Cl)c2N1C(Cc1ccccc1)=O |
| InChI | InChI=1S/C17H15ClN2O2/c18-13-6-7-16-14(11-13)15(19-22)8-9-20(16)17(21)10-12-4-2-1-3-5-12/h1-7,11,22H,8-10H2 |
| InChIK | AELVWPPXVWMAFZ-UHFFFAOYSA-N |
| TotalMolweight | 314.771 |
| Molweight | 314.771 |
| MonoisotopicMass | 314.082205 |
| CLogP | 4.2106 |
| CLogS | -4.98 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.59 |
| Relative PSA | 0.17638 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 3.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone | 2 - 1-[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone
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