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Chemical ID: 7102775
Chemical ID:
7102775
Name [?]:
N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]ethanamine
SMILES [?]:
CCNCc1cc(cc(c1OCC)Br)Br
InChi [?]:
InChI=1/C11H15Br2NO/c1-3-14-7-8-5-9(12)6-10(13)11(8)15-4-2/h5-6,14H,3-4,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,6,8,4,5,7,9,10,15,14,3,11/rA:15nCCNCCCCCCCOCCBrBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s9;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15Br2NO |
All Atoms: | 30 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76817 |
Area: | 418.767 |
Solvation: | -1.701 |
Coulombic: | -17.5437 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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