Chemical ID: 4731591

COc1cccc(c1C(=O)N)F
Chemical ID:
4731591
Name [?]:
2-fluoro-6-methoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)N)F
InChi [?]:
InChI=1/C8H8FNO2/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,3,8,9,12,11,10,2/rA:12nCOCCCCCCCONF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8FNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.98254
Area:314.18
Solvation:-3.87196
Coulombic:-36.1495
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:169.153
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):0.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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