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Chemical ID: 5140616
Chemical ID:
5140616
Name [?]:
N-(2,4,6-tribromophenyl)pent-4-enamide
SMILES [?]:
C=CCCC(=O)Nc1c(cc(cc1Br)Br)Br
InChi [?]:
InChI=1/C11H10Br3NO/c1-2-3-4-10(16)15-11-8(13)5-7(12)6-9(11)14/h2,5-6H,1,3-4H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,12,11,9,13,5,8,15,16,14,7,6/E:(5,6)(8,9)(13,14)/rA:16nCCCCCONCCCCCCBrBrBr/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10Br3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43574 |
Area: | 447.426 |
Solvation: | -1.7499 |
Coulombic: | -21.8255 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 411.915 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.69 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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