Chemical ID: 4432404

c1cc(ccc1N2C(=O)C(=Cc3ccc(c(c3)Br)OCC(=O)O)C(=O)NC2=O)[N+](=O)[O-]
Chemical ID:
4432404
Name [?]:
2-[2-bromo-4-[[1-(4-nitrophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1cc(ccc1N2C(=O)C(=Cc3ccc(c(c3)Br)OCC(=O)O)C(=O)NC2=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H12BrN3O8
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:4.42512
Area:637.996
Solvation:-11.5248
Coulombic:-91.8688
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:490.218
H-Bond Donors:2
H-Bond Acceptors:11
XLogP:2.26
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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