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Chemical ID: 7477356
Chemical ID:
7477356
Name [?]:
N-(2-methoxyphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
COc1ccccc1NC(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O5/c1-21-13-8-4-2-6-11(13)16-15(18)10-22-14-9-5-3-7-12(14)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,6,17,5,16,7,18,4,15,12,8,19,3,14,10,9,20,11,21,22,2,13/E:(19,20)/CRV:17.5/rA:22nCOCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -0.339127 |
Area: | 495.517 |
Solvation: | -12.7271 |
Coulombic: | -45.2486 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.282 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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