Chemical ID: 3966695

CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
3966695
Name [?]:
2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,12,2,7,11,10,4,13,14,15,16,6,17,5,18,19/E:(1,2)(12,13,14)(18,19)/CRV:16.5/rA:19nCCCCONCCCCCCCFFFN+OO-/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s10;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:1.39828
Area:417.242
Solvation:-9.03276
Coulombic:-46.0794
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.212
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):3.4

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Descriptor Annotations

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