Chemical ID: 4829270

COc1ccc(c(c1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)c3ccc(cc3)Cl)OC
Chemical ID:
4829270
Name [?]:
3-[3-(4-chlorobenzoyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid
SMILES [?]:
COc1ccc(c(c1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)c3ccc(cc3)Cl)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20ClNO7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.42724
Area:650.485
Solvation:-6.83488
Coulombic:-82.9336
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:445.849
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.19
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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