Chemical ID: 6320704

CCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F
Chemical ID:
6320704
Name [?]:
N-(4-fluoro-3-nitro-phenyl)propanamide
SMILES [?]:
CCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F
InChi [?]:
InChI=1/C9H9FN2O3/c1-2-9(13)11-6-3-4-7(10)8(5-6)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,11,6,9,10,3,15,5,12,4,13,14/E:(14,15)/CRV:12.5/rA:15nCCCONCCCCCCN+OO-F/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9FN2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:0.156913
Area:370.828
Solvation:-9.1138
Coulombic:-32.597
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.178
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.46
LogP (Chemaxon):2.09

Name Annotations

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Descriptor Annotations

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