Mol Weight - 332.439
Smiles - C(COCC1)N2CCOCCOCCN1CCOCCOCC2
| Property Name | Property Value |
| Mol Name | 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane |
| Molweight | 332.439 |
| Monoisotopic Mass | 332.231123 |
| Clogp | -1.2275 |
| Clogs | 0.873 |
| H Acceptors | 7 |
| Total Surface Area | 277.26 |
| Relative Psa | 0.20594 |
| Polar Surface Area | 52.63 |
| Druglikeness | -9.0755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.43478 |
| Molecular Flexibility | 0.46207 |
| Molecular Complexity | 0.55303 |
| Fragments | 1 |
| Non H Atoms | 23 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Rings Closures | 2 |
| Sp3 Atoms | 23 |
| Symmetric Atoms | 15 |
| Amines | 2 |
| Alkyl Amines | 2 |
| Basic Nitrogens | 2 |
| Smiles | C(COCC1)N2CCOCCOCCN1CCOCCOCC2 |
| InChIKey | InChI=1S/C16H32N2O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h1-16H2 |
| InChI | HDLXPNDSLDLJHF-UHFFFAOYSA-N |
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1 — 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane | 2 — 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane