Chemical ID: 4586926

CCc1c(c([nH]c1C(=O)OCC)C)C(=O)C
Chemical ID:
4586926
Name [?]:
ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
SMILES [?]:
CCc1c(c([nH]c1C(=O)OCC)C)C(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.93554
Area:419.46
Solvation:-2.55095
Coulombic:-38.5827
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):0.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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