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Chemical ID: 6320704
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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Experimental Annotations
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Descriptor Annotations
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