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Chemical ID: 4408992
Chemical ID:
4408992
Name [?]:
N-(2,6-dimethylphenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(cc2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-4-3-5-12(2)16(11)17-15(19)10-22-14-8-6-13(7-9-14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,15,17,14,18,11,2,6,16,13,9,7,8,19,10,20,21,12/E:(1,2)(4,5)(6,7)(8,9)(11,12)(20,21)/CRV:18.5/rA:22nCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.55532 |
Area: | 506.056 |
Solvation: | -10.0961 |
Coulombic: | -38.3051 |
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): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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