Chemical ID: 6131897

c1cc(ccc1c2ccc(c(c2)C(=O)O)O)F
Chemical ID:
6131897
Name [?]:
5-(4-fluorophenyl)-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(ccc1c2ccc(c(c2)C(=O)O)O)F
InChi [?]:
InChI=1/C13H9FO3/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,8,2,4,9,12,6,7,3,11,10,13,17,16,14,15/E:(1,2)(4,5)(16,17)/rA:17nCCCCCCCCCCCCCOOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9FO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.08251
Area:394.027
Solvation:-3.76816
Coulombic:-47.8892
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.207
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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