Chemical ID: 3967393

C[N+]1(CCCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)C
Chemical ID:
3967393
Name [?]:
(1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl) 2-hydroxy-2,2-diphenyl-acetate
SMILES [?]:
C[N+]1(CCCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H26NO3+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-16.9362
Area:538.699
Solvation:-30.4037
Coulombic:-16.6359
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.436
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):-1.26

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