Chemical ID: 5871122

c1ccc(cc1)c2cc(on2)C(=O)O
Chemical ID:
5871122
Name [?]:
3-phenylisoxazole-5-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2cc(on2)C(=O)O
InChi [?]:
InChI=1/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,9,12,11,13,14,10/E:(2,3)(4,5)(12,13)/rA:14nCCCCCCCCCONCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.39927
Area:359.641
Solvation:-2.59176
Coulombic:-33.5372
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.168
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.23
LogP (Chemaxon):1.91

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Descriptor Annotations

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