Chemical ID: 7359347

Cc1ccc(cc1NC(=O)COc2cccc(c2)C(=O)C)[N+](=O)[O-]
Chemical ID:
7359347
Name [?]:
2-(3-acetylphenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2cccc(c2)C(=O)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H16N2O5/c1-11-6-7-14(19(22)23)9-16(11)18-17(21)10-24-15-5-3-4-13(8-15)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,15,16,14,3,4,18,6,11,2,19,17,5,13,7,9,8,22,20,10,23,24,12/E:(22,23)/CRV:19.5/rA:24nCCCCCCCNCOCOCCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:2.35649
Area:545.795
Solvation:-11.2884
Coulombic:-45.354
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:328.319
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.51
LogP (Chemaxon):1.96

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Descriptor Annotations

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