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Chemical ID: 7350478
Chemical ID:
7350478
Name [?]:
3-bromo-N-(2,6-dibromo-4-methyl-phenyl)-benzamide
SMILES [?]:
Cc1cc(c(c(c1)Br)NC(=O)c2cccc(c2)Br)Br
InChi [?]:
InChI=1/C14H10Br3NO/c1-8-5-11(16)13(12(17)6-8)18-14(19)9-3-2-4-10(15)7-9/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,7,17,2,12,16,4,6,5,10,18,19,8,9,11/E:(5,6)(11,12)(16,17)/rA:19nCCCCCCCBrNCOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Br3NO |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3256 |
Area: | 480.576 |
Solvation: | -1.68883 |
Coulombic: | -23.2953 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 447.947 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.82 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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