(1R,7R)-9-cyclohexylspiro[3-aza-5,9-diazoniatricyclo[5.3.3.01,6]tridec-5-ene-4,1'-cyclohexane]-2-one
Formula:C21H35N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,7R)-9-cyclohexylspiro[3-aza-5,9-diazoniatricyclo[5.3.3.01,6]tridec-5-ene-4,1'-cyclohexane]-2-one is a drug-like molecule.
| MolName | (1R,7R)-9-cyclohexylspiro[3-aza-5,9-diazoniatricyclo[5.3.3.01,6]tridec-5-ene-4,1'-cyclohexane]-2-one |
| MolecularFormula | C21H35N3O |
| Smiles | O=C1NC2(CCCCC2)[NH+]=C([C@H](CCC2)C3)[C@@]12C[NH+]3C1CCCCC1 |
| InChI | InChI=1S/C21H33N3O/c25-19-20-11-7-8-16(14-24(15-20)17-9-3-1-4-10-17)18(20)22-21(23-19)12-5-2-6-13-21/h16-17H,1-15H2,(H,23,25)/p+2/t16-,20-/m1/s1 |
| InChIK | MTRYNCCVMWSGRR-OXQOHEQNSA-P |
| TotalMolweight | 345.529 |
| Molweight | 345.529 |
| MonoisotopicMass | 345.278012 |
| CLogP | 0.7111 |
| CLogS | -3.975 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 263.23 |
| Relative PSA | 0.1599 |
| PolarSurfaceArea | 47.51 |
| Druglikeness | -2.0168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 20 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (1R,7R)-9-cyclohexylspiro[3-aza-5,9-diazoniatricyclo[5.3.3.01,6]tridec-5-ene-4,1'-cyclohexane]-2-one | 2 - (1R,7R)-9-cyclohexylspiro[3-aza-5,9-diazoniatricyclo[5.3.3.01,6]tridec-5-ene-4,1'-cyclohexane]-2-one
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