(E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C18H12NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C18H12NO3ClS |
| Smiles | O=C(/C=C/c(c(Cl)nc1c2)cc1cc1c2OCCO1)c1cccs1 |
| InChI | InChI=1S/C18H12ClNO3S/c19-18-11(3-4-14(21)17-2-1-7-24-17)8-12-9-15-16(10-13(12)20-18)23-6-5-22-15/h1-4,7-10H,5-6H2 |
| InChIK | LIYJWKOCOQBVBK-UHFFFAOYSA-N |
| TotalMolweight | 357.816 |
| Molweight | 357.816 |
| MonoisotopicMass | 357.022641 |
| CLogP | 4.1686 |
| CLogS | -5.237 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.01 |
| Relative PSA | 0.25144 |
| PolarSurfaceArea | 76.66 |
| Druglikeness | -4.1611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one
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