Chemical ID: 7477249

Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2C)[N+](=O)[O-]
Chemical ID:
7477249
Name [?]:
2-(3,4-dimethylphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O4/c1-11-4-6-15(9-12(11)2)23-10-17(20)18-16-7-5-14(19(21)22)8-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,20,3,16,4,15,18,6,10,2,7,19,17,5,14,11,13,21,12,22,23,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCCOCCONCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.37039
Area:533.894
Solvation:-8.97696
Coulombic:-39.7404
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.54
LogP (Chemaxon):3.58

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Descriptor Annotations

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