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Chemical ID: 6380072
Chemical ID:
6380072
Name [?]:
4-bromo-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2Br)Br)Br
InChi [?]:
InChI=1/C13H8Br3NO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,14,6,3,13,15,10,7,18,17,16,9,8/E:(1,2)(3,4)/rA:18nCCCCCCCONCCCCCCBrBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2365 |
Area: | 465.393 |
Solvation: | -1.39835 |
Coulombic: | -23.5391 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 433.921 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.39 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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