Chemical ID: 3993460

COc1ccc2c(c1)c(cc(n2)c3ccc(cc3)Br)C(=O)O
Chemical ID:
3993460
Name [?]:
2-(4-bromophenyl)-6-methoxy-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(cc(n2)c3ccc(cc3)Br)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12BrNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.05772
Area:495.834
Solvation:-3.33813
Coulombic:-41.0356
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.186
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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