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Chemical ID: 4950097
Chemical ID:
4950097
Name [?]:
2-bromo-N-hexyl-propanamide
SMILES [?]:
CCCCCCNC(=O)C(C)Br
InChi [?]:
InChI=1/C9H18BrNO/c1-3-4-5-6-7-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,2,3,4,5,6,10,8,12,7,9/rA:12cCCCCCCNCOCCBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18BrNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.44894 |
Area: | 402.921 |
Solvation: | -1.62409 |
Coulombic: | -22.1133 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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