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Chemical ID: 6620981
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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