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Chemical ID: 5255666
Chemical ID:
5255666
Name [?]:
5-bromo-N-(2,4-dibromophenyl)-2-hydroxy-benzamide
SMILES [?]:
c1cc(c(cc1Br)Br)NC(=O)c2cc(ccc2O)Br
InChi [?]:
InChI=1/C13H8Br3NO2/c14-7-2-4-12(18)9(5-7)13(19)17-11-3-1-8(15)6-10(11)16/h1-6,18H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,2,16,13,5,14,6,12,4,3,17,10,19,7,8,9,18,11/rA:19nCCCCCCBrBrNCOCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br3NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16632 |
Area: | 474.347 |
Solvation: | -2.69235 |
Coulombic: | -37.7024 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 449.92 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.41 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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