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Chemical ID: 4210284
Chemical ID:
4210284
Name [?]:
2-(2,5-dimethylphenoxy)-N-(2-methoxy-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2OC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H18N2O5/c1-11-4-5-12(2)15(8-11)24-10-17(20)18-14-7-6-13(19(21)22)9-16(14)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,20,3,4,15,14,7,17,9,2,5,16,13,6,18,10,12,21,11,22,23,19,8/E:(21,22)/CRV:19.5/rA:24nCCCCCCCOCCONCCCCCCOCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.17761 |
Area: | 547.745 |
Solvation: | -9.51602 |
Coulombic: | -46.7636 |
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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