Chemical ID: 5793927

Cc1cccc(c1N=Cc2cc(c(c(c2O)Br)O)Br)O
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

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