Chemical ID: 5733086

c1ccc(c(c1)C=CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]
Chemical ID:
5733086
Name [?]:
[2-(1-adamantyl)-2-oxo-ethyl] 3-(2-nitrophenyl)prop-2-enoate
SMILES [?]:
c1ccc(c(c1)C=CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.11601
Area:553.734
Solvation:-7.72735
Coulombic:-41.3729
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:369.411
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.6
LogP (Chemaxon):4.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue