Chemical ID: 7569395

CC(C(c1ccccc1)O)[NH2+]Cc2ccc3c(c2)OCO3
Chemical ID:
7569395
Name [?]:
benzo[1,3]dioxol-5-ylmethyl-(2-hydroxy-1-methyl-2-phenyl-ethyl)-ammonium
SMILES [?]:
CC(C(c1ccccc1)O)[NH2+]Cc2ccc3c(c2)OCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20NO3+
All Atoms:41
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:-24.8552
Area:489.995
Solvation:-37.1051
Coulombic:2.4819
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.86
LogP (Chemaxon):None

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