ChemDB: Chemical Search
Download
Chemical ID: 4682242
Chemical ID:
4682242
Name [?]:
6-bromo-1-(6-bromo-2-hydroxy-1-naphthyl)-naphthalen-2-ol
SMILES [?]:
c1cc(c(c2c1cc(cc2)Br)c3c4ccc(cc4ccc3O)Br)O
InChi [?]:
InChI=1/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H
InChi Info:
AuxInfo=1/0/N:1,19,9,15,10,14,2,20,7,17,6,18,8,16,5,13,3,21,4,12,11,23,24,22/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:24nCCCCCCCCCCBrCCCCCCCCCCOBrO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s8;s4;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Br2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1569 |
Area: | 515.125 |
Solvation: | -2.72124 |
Coulombic: | -35.4464 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 444.116 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 6.85 |
LogP (Chemaxon): | 6.75 |
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 |
---|