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Chemical ID: 6401473
Chemical ID:
6401473
Name [?]:
N-(3-methoxyphenyl)-2-phenoxy-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C15H15NO3/c1-18-14-9-5-6-12(10-14)16-15(17)11-19-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,5,6,15,19,4,8,12,7,14,3,10,9,11,2,13/E:(3,4)(7,8)/rA:19nCOCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.39133 |
Area: | 460.322 |
Solvation: | -5.11672 |
Coulombic: | -35.8582 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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