Chemical ID: 5170694

CC(CN1CCCCCC1)C(=O)OC
Chemical ID:
5170694
Name [?]:
methyl 3-azepan-1-yl-2-methyl-propanoate
SMILES [?]:
CC(CN1CCCCCC1)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H21NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.94192
Area:384.718
Solvation:-1.67602
Coulombic:-23.9349
Bond Count [?]
All:14
Single:13
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:199.29
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.44
LogP (Chemaxon):1.59

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