Chemical ID: 4562657

COc1cc(ccc1O)C2C(=C(C(=O)N2CCCC(=O)O)O)C(=O)c3ccccc3
Chemical ID:
4562657
Name [?]:
4-[3-benzoyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]butanoic acid
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2CCCC(=O)O)O)C(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21NO7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.13729
Area:638.376
Solvation:-7.82211
Coulombic:-91.2348
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.405
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.61
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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