Chemical ID: 4448968

CCc1cc2c(cc1OC(=O)c3cccs3)occ(c2=O)c4ccc5c(c4)OCCCO5
Chemical ID:
4448968
Name [?]:
[3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-6-ethyl-4-oxo-chromen-7-yl] thiophene-2-carboxylate
SMILES [?]:
CCc1cc2c(cc1OC(=O)c3cccs3)occ(c2=O)c4ccc5c(c4)OCCCO5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H20O6S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.6206
Area:650.903
Solvation:-5.652
Coulombic:-51.4575
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:448.489
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.73
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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