Chemical ID: 7012565

c1ccc(cc1)CCN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)F)c4cccc(c4)O
Chemical ID:
7012565
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-phenethyl-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CCN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)F)c4cccc(c4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H20FNO4
All Atoms:51
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.2007
Area:642.084
Solvation:-5.85141
Coulombic:-64.3812
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.429
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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