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Chemical ID: 4324902
Chemical ID:
4324902
Name [?]:
2-(2,4-dimethylphenoxy)-N-(2-methoxy-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O5/c1-11-4-7-15(12(2)8-11)24-10-17(20)18-14-6-5-13(19(21)22)9-16(14)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,21,3,16,15,4,7,18,10,2,6,17,14,5,19,11,13,22,12,23,24,20,9/E:(21,22)/CRV:19.5/rA:24nCCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.15324 |
Area: | 548.308 |
Solvation: | -9.55446 |
Coulombic: | -46.7215 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.335 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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