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Chemical ID: 6399019
Chemical ID:
6399019
Name [?]:
N-(2,4-dibromophenyl)decanamide
SMILES [?]:
CCCCCCCCCC(=O)Nc1ccc(cc1Br)Br
InChi [?]:
InChI=1/C16H23Br2NO/c1-2-3-4-5-6-7-8-9-16(20)19-15-11-10-13(17)12-14(15)18/h10-12H,2-9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,15,14,17,16,18,13,10,20,19,12,11/rA:20nCCCCCCCCCCONCCCCCCBrBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23Br2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5732 |
Area: | 562.718 |
Solvation: | -1.49478 |
Coulombic: | -22.8297 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.168 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.11 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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