Chemical ID: 5709102

CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5709102
Name [?]:
[4,5-dioxo-2-(3-propoxyphenyl)-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(4-fluorophenyl)-methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)F)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H23FN2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-42.9202
Area:642.212
Solvation:-58.9755
Coulombic:-36.7309
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:446.47
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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