(7Z)-7-benzylidene-2-chloro-5,6-dihydroquinolin-8-one
Formula:C16H12NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7Z)-7-benzylidene-2-chloro-5,6-dihydroquinolin-8-one is a drug-like molecule.
| MolName | (7Z)-7-benzylidene-2-chloro-5,6-dihydroquinolin-8-one |
| MolecularFormula | C16H12NOCl |
| Smiles | O=C(/C(/CC1)=C\c2ccccc2)c2c1ccc(Cl)n2 |
| InChI | InChI=1S/C16H12ClNO/c17-14-9-8-12-6-7-13(16(19)15(12)18-14)10-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2 |
| InChIK | GUNRWGBWPKWBSG-UHFFFAOYSA-N |
| TotalMolweight | 269.73 |
| Molweight | 269.73 |
| MonoisotopicMass | 269.060741 |
| CLogP | 3.7693 |
| CLogS | -4.011 |
| H Acceptors | 2 |
| TotalSurfaceArea | 203.68 |
| Relative PSA | 0.11788 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -0.010989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (7Z)-7-benzylidene-2-chloro-5,6-dihydroquinolin-8-one | 2 - (7Z)-7-benzylidene-2-chloro-5,6-dihydroquinolin-8-one
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