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Chemical ID: 4118579
Chemical ID:
4118579
Name [?]:
5-(4-fluorophenyl)pentanoic acid
SMILES [?]:
c1cc(ccc1CCCCC(=O)O)F
InChi [?]:
InChI=1/C11H13FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:8,9,7,10,1,5,2,4,6,3,11,14,12,13/E:(5,6)(7,8)(13,14)/rA:14nCCCCCCCCCCCOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s11;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13FO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89269 |
Area: | 383.657 |
Solvation: | -2.69874 |
Coulombic: | -30.9595 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.218 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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