Chemical ID: 5629517

CC1(CC(=O)C(C(=O)C1)C(c2cccc(c2)Cl)C3C(=O)CC(CC3=O)(C)C)C
Chemical ID:
5629517
Name [?]:
2-[(3-chlorophenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-methyl]-5,5-dimethyl-cyclohexane-1,3-dione
SMILES [?]:
CC1(CC(=O)C(C(=O)C1)C(c2cccc(c2)Cl)C3C(=O)CC(CC3=O)(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27ClO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.48068
Area:550.493
Solvation:-4.28165
Coulombic:-29.4013
Bond Count [?]
All:30
Single:23
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:402.911
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):6.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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