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Chemical ID: 6131897
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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