Chemical ID: 5699925

CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5699925
Name [?]:
(4-fluorophenyl)-[1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)-pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H29FN2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-41.4998
Area:680.227
Solvation:-58.5054
Coulombic:-20.6895
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:468.517
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.86
LogP (Chemaxon):0.75

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