[(E)-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Formula:C16H12N2O5BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate is a drug-like molecule.
| MolName | [(E)-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate |
| MolecularFormula | C16H12N2O5BrClS |
| Smiles | OS(O/N=C(\CC1)/c(ccc(Cl)c2)c2N1C(c(cccc1)c1Br)=O)(=O)=O |
| InChI | InChI=1S/C16H12BrClN2O5S/c17-13-4-2-1-3-11(13)16(21)20-8-7-14(19-25-26(22,23)24)12-6-5-10(18)9-15(12)20/h1-6,9H,7-8H2,(H,22,23,24) |
| InChIK | FZLLOXZQCUPWKJ-UHFFFAOYSA-N |
| TotalMolweight | 459.703 |
| Molweight | 459.703 |
| MonoisotopicMass | 457.933881 |
| CLogP | 4.0254 |
| CLogS | -4.632 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.04 |
| Relative PSA | 0.28797 |
| PolarSurfaceArea | 104.65 |
| Druglikeness | 1.264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate | 2 - [(E)-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
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