(E)-1-(3-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
Formula:C18H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one |
| MolecularFormula | C18H13N2OCl |
| Smiles | Nc1cccc(C(/C=C/c2cc3ccccc3nc2Cl)=O)c1 |
| InChI | InChI=1S/C18H13ClN2O/c19-18-14(10-12-4-1-2-7-16(12)21-18)8-9-17(22)13-5-3-6-15(20)11-13/h1-11H,20H2 |
| InChIK | MGXSPVZTFLLDCC-UHFFFAOYSA-N |
| TotalMolweight | 308.767 |
| Molweight | 308.767 |
| MonoisotopicMass | 308.07164 |
| CLogP | 3.6459 |
| CLogS | -5.121 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.57 |
| Relative PSA | 0.16746 |
| PolarSurfaceArea | 55.98 |
| Druglikeness | 0.36 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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