[(E)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Formula:C16H11N2O5Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate is a drug-like molecule.
| MolName | [(E)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate |
| MolecularFormula | C16H11N2O5Cl3S |
| Smiles | OS(O/N=C(\CC1)/c(ccc(Cl)c2)c2N1C(c(ccc(Cl)c1)c1Cl)=O)(=O)=O |
| InChI | InChI=1S/C16H11Cl3N2O5S/c17-9-1-3-11(13(19)7-9)16(22)21-6-5-14(20-26-27(23,24)25)12-4-2-10(18)8-15(12)21/h1-4,7-8H,5-6H2,(H,23,24,25) |
| InChIK | YDSDZCVWVBNDEY-UHFFFAOYSA-N |
| TotalMolweight | 449.697 |
| Molweight | 449.697 |
| MonoisotopicMass | 447.945424 |
| CLogP | 4.5122 |
| CLogS | -5.27 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.25 |
| Relative PSA | 0.27582 |
| PolarSurfaceArea | 104.65 |
| Druglikeness | 5.3466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate | 2 - [(E)-[7-chloro-1-(2,4-dichlorobenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
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