ChemDB: Chemical Search
Download
Chemical ID: 6689626
Chemical ID:
6689626
Name [?]:
3-bromo-1-(3-bromo-2-hydroxy-tetralin-1-yl)-tetralin-2-ol
SMILES [?]:
c1c2c(c(c(c1Br)O)c3c4c(cc(c3O)Br)CCCC4)CCCC2
InChi [?]:
InChI=1/C20H20Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h9-10,23-24H,1-8H2
InChi Info:
AuxInfo=1/0/N:18,23,19,22,17,24,20,21,12,1,11,2,10,3,13,6,9,4,14,5,16,7,15,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCBrOCCCCCCOBrCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s9;d10;s11;d12;d9s13;s14;s13;s11;s17;s18;s10s19;s3;s21;s22;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20Br2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6052 |
Area: | 515.249 |
Solvation: | -2.27601 |
Coulombic: | -34.5853 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 452.18 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 7.25 |
LogP (Chemaxon): | 7.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|