Chemical ID: 4645638

COc1cc(ccc1O)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
4645638
Name [?]:
4-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18ClNO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.7365
Area:596.17
Solvation:-7.16775
Coulombic:-82.8592
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.813
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.62
LogP (Chemaxon):1.76

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Experimental Annotations

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Descriptor Annotations

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