13-Isothiocyanatocubebane; (1R,4β,5α,6β,7α,10α)-form, Isocyanide
AlkaPlorer ID: AK303081
Synonym: 13-Isocyanocubebane
IUPAC Name: None
Structure
SMILES: [C-]#[N+]C(C)(C)C1CCC(C)C23CCC(C)C2C13
InChI: InChI=1S/C16H25N/c1-10-8-9-16-11(2)6-7-12(14(16)13(10)16)15(3,4)17-5/h10-14H,6-9H2,1-4H3
InChIKey: OVGPAOGRODJEFJ-UHFFFAOYSA-N
Reference
CAS: 1798300-10-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 231.38299999999995
TPSA？: 4.36
MolLogP？: 4.392690000000004
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|