Chemical ID: 5692279

COc1ccccc1C2C(=C(c3ccc(cc3)Br)O)C(=O)C(=O)N2
Chemical ID:
5692279
Name [?]:
4-[(4-bromophenyl)-hydroxy-methylene]-5-(2-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
COc1ccccc1C2C(=C(c3ccc(cc3)Br)O)C(=O)C(=O)N2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14BrNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.4324
Area:498.901
Solvation:-4.04012
Coulombic:-56.7022
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:388.212
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.13
LogP (Chemaxon):2.06

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Experimental Annotations

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Descriptor Annotations

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