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Chemical ID: 4508951
Chemical ID:
4508951
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H15NO4/c1-19-13-5-2-11(3-6-13)8-16(18)17-12-4-7-14-15(9-12)21-10-20-14/h2-7,9H,8,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,7,14,4,8,15,9,18,20,6,13,3,16,17,10,12,11,2,21,19/E:(2,3)(5,6)/rA:21nCOCCCCCCCCONCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56904 |
Area: | 476.854 |
Solvation: | -5.35231 |
Coulombic: | -42.887 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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