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Chemical ID: 5525477
Chemical ID:
5525477
Name [?]:
5-bromo-N-[(2-ethoxyphenyl)methyleneamino]-2-hydroxy-benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2cc(ccc2O)Br
InChi [?]:
InChI=1/C16H15BrN2O3/c1-2-22-15-6-4-3-5-11(15)10-18-19-16(21)13-9-12(17)7-8-14(13)20/h3-10,20H,2H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,18,19,16,10,9,17,15,20,4,13,22,11,12,21,14,3/rA:22nCCOCCCCCCCNNCOCCCCCCOBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15BrN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85934 |
Area: | 516.105 |
Solvation: | -5.04329 |
Coulombic: | -42.8442 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.206 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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