(E)-3-pyridin-3-yl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one
Formula:C24H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-3-yl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-pyridin-3-yl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one |
| MolecularFormula | C24H21NO |
| Smiles | O=C(/C=C/c1cnccc1)c1c(CCc2ccc(CC3)cc2)ccc3c1 |
| InChI | InChI=1S/C24H21NO/c26-24(14-11-21-2-1-15-25-17-21)23-16-20-8-7-18-3-5-19(6-4-18)9-12-22(23)13-10-20/h1-6,10-11,13-17H,7-9,12H2 |
| InChIK | PYYDGFPOIRYRGD-UHFFFAOYSA-N |
| TotalMolweight | 339.437 |
| Molweight | 339.437 |
| MonoisotopicMass | 339.162314 |
| CLogP | 5.0461 |
| CLogS | -5.235 |
| H Acceptors | 2 |
| TotalSurfaceArea | 277.33 |
| Relative PSA | 0.086576 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -0.85933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-pyridin-3-yl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one | 2 - (E)-3-pyridin-3-yl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one
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