Chemical ID: 6620981

COc1ccc(cc1C(=O)NN=Cc2cc(ccc2O)Br)Br
Chemical ID:
6620981
Name [?]:
5-bromo-N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)NN=Cc2cc(ccc2O)Br)Br
InChi [?]:
InChI=1/C15H12Br2N2O3/c1-22-14-5-3-11(17)7-12(14)15(21)19-18-8-9-6-10(16)2-4-13(9)20/h2-8,20H,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,5,18,4,15,7,13,14,16,6,8,19,3,9,21,22,12,11,20,10,2/rA:22nCOCCCCCCCONNCCCCCCCOBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Br2N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.73131
Area:496.547
Solvation:-5.68235
Coulombic:-41.175
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:428.075
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.1
LogP (Chemaxon):4.29

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