Chemical ID: 5660311

CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
Chemical ID:
5660311
Name [?]:
[1-(2-diethylammonioethyl)-2-(3,4-dimethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-fluorophenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(cc2)F)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29FN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-40.2723
Area:625.441
Solvation:-55.9083
Coulombic:-23.0782
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:456.507
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.98
LogP (Chemaxon):-0.77

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