Chemical ID: 4190654

CN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3ccc(cc3)F
Chemical ID:
4190654
Name [?]:
4-(4-bromobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-methyl-5H-pyrrol-2-one
SMILES [?]:
CN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13BrFNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.43656
Area:520.286
Solvation:-4.57059
Coulombic:-47.379
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.203
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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