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Chemical ID: 5793927
Chemical ID:
5793927
Name [?]:
2,4-dibromo-6-[(2-hydroxy-6-methyl-phenyl)iminomethyl]benzene-1,3-diol
SMILES [?]:
Cc1cccc(c1N=Cc2cc(c(c(c2O)Br)O)Br)O
InChi [?]:
InChI=1/C14H11Br2NO3/c1-7-3-2-4-10(18)12(7)17-6-8-5-9(15)14(20)11(16)13(8)19/h2-6,18-20H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,11,9,2,10,12,6,14,7,15,13,19,17,8,20,16,18/rA:20nCCCCCCCNCCCCCCCOBrOBrO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s14;s13;s12;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br2NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08316 |
Area: | 440.519 |
Solvation: | -3.92981 |
Coulombic: | -53.6159 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 401.05 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.13 |
LogP (Chemaxon): | 5.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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