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Chemical ID: 6345108
Chemical ID:
6345108
Name [?]:
N-(2,4-dibromophenyl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(cc1Br)Br
InChi [?]:
InChI=1/C12H15Br2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,11,10,13,12,14,9,6,16,15,8,7/rA:16nCCCCCCONCCCCCCBrBr/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Br2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89915 |
Area: | 454.232 |
Solvation: | -1.45665 |
Coulombic: | -21.6167 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.062 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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