Chemical ID: 4409394

c1cc(cc(c1)Br)NC(=O)c2ccc3c(c2)OCCO3
Chemical ID:
4409394
Name [?]:
N-(3-bromophenyl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)c2ccc3c(c2)OCCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12BrNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.16368
Area:464.653
Solvation:-3.45264
Coulombic:-38.0706
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.165
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.41
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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