Chemical ID: 4829780

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3cccc(c3)Cl
Chemical ID:
4829780
Name [?]:
4-benzoyl-5-(3-chlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3cccc(c3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20ClNO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.71916
Area:602.733
Solvation:-5.34916
Coulombic:-52.435
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.841
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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