Chemical ID: 6990130

Cc1cccc(c1OCC(=O)Nc2cccc(c2)[N+](=O)[O-])C
Chemical ID:
6990130
Name [?]:
2-(2,6-dimethylphenoxy)-N-(3-nitrophenyl)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2cccc(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-5-3-6-12(2)16(11)22-10-15(19)17-13-7-4-8-14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,15,3,5,14,16,18,9,2,6,13,17,10,7,12,19,11,20,21,8/E:(1,2)(5,6)(11,12)(20,21)/CRV:18.5/rA:22nCCCCCCCOCCONCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.21899
Area:506.482
Solvation:-9.44306
Coulombic:-39.9208
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:2.9
LogP (Chemaxon):3.76

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Descriptor Annotations

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