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Chemical ID: 4462149
Chemical ID:
4462149
Name [?]:
2-[2-(hydroxymethyl)-6-methoxy-phenoxy]-N-phenyl-acetamide
SMILES [?]:
COc1cccc(c1OCC(=O)Nc2ccccc2)CO
InChi [?]:
InChI=1/C16H17NO4/c1-20-14-9-5-6-12(10-18)16(14)21-11-15(19)17-13-7-3-2-4-8-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,5,6,15,19,4,20,10,7,14,3,11,8,13,21,12,2,9/E:(3,4)(7,8)/rA:21nCOCCCCCCOCCONCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s7;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.19842 |
Area: | 492.993 |
Solvation: | -6.12639 |
Coulombic: | -53.132 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 287.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.51 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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