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Chemical ID: 6933570
Chemical ID:
6933570
Name [?]:
N-(2-fluoro-5-nitro-phenyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1cc(ccc1F)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H11FN2O3/c1-6(2)10(14)12-9-5-7(13(15)16)3-4-8(9)11/h3-6H,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,8,2,9,12,7,4,13,6,14,5,15,16/E:(1,2)(15,16)/CRV:13.5/rA:16nCCCCONCCCCCCFN+OO-/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11FN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.26973 |
Area: | 390.736 |
Solvation: | -7.49866 |
Coulombic: | -34.689 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.75 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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