Chemical ID: 5185280

COc1cccc(c1)c2cc(no2)C(=O)O
Chemical ID:
5185280
Name [?]:
5-(3-methoxyphenyl)isoxazole-3-carboxylic acid
SMILES [?]:
COc1cccc(c1)c2cc(no2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H9NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.85338
Area:398.079
Solvation:-4.0986
Coulombic:-39.2021
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.193
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.15
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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