Chemical ID: 6943512

Cc1cccc(c1C)NC(=O)COc2ccccc2[N+](=O)[O-]
Chemical ID:
6943512
Name [?]:
N-(2,3-dimethylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O4/c1-11-6-5-7-13(12(11)2)17-16(19)10-22-15-9-4-3-8-14(15)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,4,3,5,18,15,12,2,7,6,19,14,10,9,20,11,21,22,13/E:(20,21)/CRV:18.5/rA:22nCCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:0.338818
Area:497.676
Solvation:-12.1031
Coulombic:-37.2546
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.309
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):3.11

Name Annotations

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Descriptor Annotations

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