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Chemical ID: 4283015
Chemical ID:
4283015
Name [?]:
2-(2-bromo-4-methyl-phenoxy)-N-tetralin-1-yl-acetamide
SMILES [?]:
Cc1ccc(c(c1)Br)OCC(=O)Nc2cccc3c2CCCC3
InChi [?]:
InChI=1/C19H20BrNO2/c1-13-9-10-18(16(20)11-13)23-12-19(22)21-17-8-4-6-14-5-2-3-7-15(14)17/h4,6,8-11H,2-3,5,7,12H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,16,23,17,20,15,3,4,7,10,2,18,19,6,14,5,11,8,13,12,9/rA:23nCCCCCCCBrOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20BrNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2269 |
Area: | 532.396 |
Solvation: | -4.083 |
Coulombic: | -29.1044 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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