2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone
Formula:C24H27NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone is a drug-like molecule.
| MolName | 2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone |
| MolecularFormula | C24H27NO |
| Smiles | O=C(CN(CC1)[C@H](C2)[C@@H](CCCC3)C13c1c2cccc1)c1ccccc1 |
| InChI | InChI=1S/C24H27NO/c26-23(18-8-2-1-3-9-18)17-25-15-14-24-13-7-6-12-21(24)22(25)16-19-10-4-5-11-20(19)24/h1-5,8-11,21-22H,6-7,12-17H2/t21-,22-,24?/m1/s1 |
| InChIK | ITXANQIUMVABEM-GNLJQLLCSA-N |
| TotalMolweight | 345.484 |
| Molweight | 345.484 |
| MonoisotopicMass | 345.209264 |
| CLogP | 4.2063 |
| CLogS | -5.114 |
| H Acceptors | 2 |
| TotalSurfaceArea | 266.06 |
| Relative PSA | 0.062354 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -1.4453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone | 2 - 2-[(9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-17-yl]-1-phenylethanone
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