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Chemical ID: 6414378
Chemical ID:
6414378
Name [?]:
4-bromo-2-[(2-hydroxy-6-methyl-phenyl)iminomethyl]-6-methoxy-phenol
SMILES [?]:
Cc1cccc(c1N=Cc2cc(cc(c2O)OC)Br)O
InChi [?]:
InChI=1/C15H14BrNO3/c1-9-4-3-5-12(18)14(9)17-8-10-6-11(16)7-13(20-2)15(10)19/h3-8,18-19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,11,13,9,2,10,12,6,14,7,15,19,8,20,16,17/rA:20nCCCCCCCNCCCCCCCOOCBrO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s14;s17;s12;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.50397 |
Area: | 439.04 |
Solvation: | -4.47203 |
Coulombic: | -45.2691 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.181 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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