Chemical ID: 4196864

COc1ccccc1C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Br
Chemical ID:
4196864
Name [?]:
4-(4-bromobenzoyl)-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccccc1C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14BrNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.61644
Area:507.318
Solvation:-4.0665
Coulombic:-56.0528
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.212
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.77
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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