Chemical ID: 4727592

CC(=O)Nc1cc(ccc1F)[N+](=O)[O-]
Chemical ID:
4727592
Name [?]:
N-(2-fluoro-5-nitro-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1cc(ccc1F)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7FN2O3/c1-5(12)10-8-4-6(11(13)14)2-3-7(8)9/h2-4H,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,2,7,10,5,11,4,12,3,13,14/E:(13,14)/CRV:11.5/rA:14nCCONCCCCCCFN+OO-/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s7;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7FN2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.07588
Area:348.649
Solvation:-7.64034
Coulombic:-33.358
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.151
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):0.82

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Descriptor Annotations

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