Chemical ID: 4817988

COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3ccc(c(c3)OC)O
Chemical ID:
4817988
Name [?]:
4-(4-chlorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3ccc(c(c3)OC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20ClNO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.8243
Area:598.261
Solvation:-7.13223
Coulombic:-73.7406
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.839
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.14
LogP (Chemaxon):2.04

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Experimental Annotations

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Descriptor Annotations

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