(E)-3-(furan-2-yl)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)prop-2-en-1-one
Formula:C25H21NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)prop-2-en-1-one |
| MolecularFormula | C25H21NO2 |
| Smiles | O=C(/C=C/c1ccco1)c(cc1)cc(C2C=CCC22)c1NC2c1ccccc1 |
| InChI | InChI=1S/C25H21NO2/c27-24(14-12-19-8-5-15-28-19)18-11-13-23-22(16-18)20-9-4-10-21(20)25(26-23)17-6-2-1-3-7-17/h1-9,11-16,20-21,25-26H,10H2 |
| InChIK | UKLLIXHSDAHKIS-UHFFFAOYSA-N |
| TotalMolweight | 367.447 |
| Molweight | 367.447 |
| MonoisotopicMass | 367.157229 |
| CLogP | 4.7479 |
| CLogS | -5.951 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.94 |
| Relative PSA | 0.13363 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | 0.34541 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | unknown chirality |
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1 - (E)-3-(furan-2-yl)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)prop-2-en-1-one | 2 - (E)-3-(furan-2-yl)-1-(4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)prop-2-en-1-one
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