Chemical ID: 4118579

c1cc(ccc1CCCCC(=O)O)F
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

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Descriptor Annotations

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