Chemical ID: 7284625

CC(C)(CO)NC(=O)COc1ccc(cc1)[N+](=O)[O-]
Chemical ID:
7284625
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
CC(C)(CO)NC(=O)COc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O5/c1-12(2,8-15)13-11(16)7-19-10-5-3-9(4-6-10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,3,13,15,12,16,9,4,14,11,7,2,6,17,5,8,18,19,10/E:(1,2)(3,4)(5,6)(17,18)/CRV:14.5/rA:19nCCCCONCOCOCCCCCCN+OO-/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O5
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:0.854714
Area:466.888
Solvation:-10.8175
Coulombic:-54.8442
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:268.266
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.05
LogP (Chemaxon):0.72

Name Annotations

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Descriptor Annotations

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