Chemical ID: 6933570

CC(C)C(=O)Nc1cc(ccc1F)[N+](=O)[O-]
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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Descriptor Annotations

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