Chemical ID: 4115515

CC(=O)Nc1cc(ccc1C(=O)O)F
Chemical ID:
4115515
Name [?]:
2-acetamido-4-fluoro-benzoic acid
SMILES [?]:
CC(=O)Nc1cc(ccc1C(=O)O)F
InChi [?]:
InChI=1/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,2,7,10,5,11,14,4,3,12,13/E:(13,14)/rA:14nCCONCCCCCCCOOF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8FNO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.42656
Area:344.825
Solvation:-3.19407
Coulombic:-49.7613
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:197.163
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):1.68

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Descriptor Annotations

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