Chemical ID: 6943696

CCc1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])C
Chemical ID:
6943696
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O4/c1-3-13-8-6-7-12(2)17(13)18-16(20)11-23-15-10-5-4-9-14(15)19(21)22/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,17,16,5,6,4,18,15,12,7,3,19,14,10,8,9,20,11,21,22,13/E:(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:0.599368
Area:512.659
Solvation:-12.2171
Coulombic:-37.3937
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.36
LogP (Chemaxon):2.86

Name Annotations

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Descriptor Annotations

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