Chemical ID: 6621055

CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2O)Br)Br
Chemical ID:
6621055
Name [?]:
5-bromo-N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1C(=O)NN=Cc2cc(ccc2O)Br)Br
InChi [?]:
InChI=1/C16H14Br2N2O3/c1-2-23-15-6-4-12(18)8-13(15)16(22)20-19-9-10-7-11(17)3-5-14(10)21/h3-9,21H,2H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,19,5,16,8,14,15,17,7,9,20,4,10,22,23,13,12,21,11,3/rA:23nCCOCCCCCCCONNCCCCCCCOBrBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Br2N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.46989
Area:521.932
Solvation:-5.57841
Coulombic:-41.4331
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:442.102
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.52
LogP (Chemaxon):4.63

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