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Chemical ID: 5683981
Chemical ID:
5683981
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CNC(=O)COc1ccc2cc(ccc2c1)Br
InChi [?]:
InChI=1/C16H18BrNO2/c1-11(2)9-18-16(19)10-20-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,12,16,11,14,19,4,8,2,13,18,15,10,6,20,5,7,9/E:(1,2)/rA:20nCCCCNCOCOCCCCCCCCCCBr/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18BrNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90697 |
Area: | 506.15 |
Solvation: | -3.74679 |
Coulombic: | -30.0478 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.224 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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