(E)-1-[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-phenylprop-2-en-1-one
Formula:C27H22NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C27H22NOCl |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)cc(C2C=CCC22)c1NC2c(cc1)ccc1Cl |
| InChI | InChI=1S/C27H22ClNO/c28-21-13-10-19(11-14-21)27-23-8-4-7-22(23)24-17-20(12-15-25(24)29-27)26(30)16-9-18-5-2-1-3-6-18/h1-7,9-17,22-23,27,29H,8H2 |
| InChIK | UQNBLTBLPQKNME-UHFFFAOYSA-N |
| TotalMolweight | 411.931 |
| Molweight | 411.931 |
| MonoisotopicMass | 411.138991 |
| CLogP | 6.1652 |
| CLogS | -7.005 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 314.67 |
| Relative PSA | 0.077859 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.26935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-1-[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-phenylprop-2-en-1-one
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