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Chemical ID: 6355265
Chemical ID:
6355265
Name [?]:
N-(2-bromophenyl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccccc1Br
InChi [?]:
InChI=1/C12H16BrNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,12,11,13,10,5,14,9,6,15,8,7/rA:15nCCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16BrNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04966 |
Area: | 423.137 |
Solvation: | -1.52876 |
Coulombic: | -22.0045 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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