ChemDB: Chemical Search
Download
Chemical ID: 5138015
Chemical ID:
5138015
Name [?]:
(4-bromophenyl)-diphenyl-methanol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Br)O
InChi [?]:
InChI=1/C19H15BrO/c20-18-13-11-17(12-14-18)19(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,15,19,16,18,4,8,14,17,7,20,21/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)/rA:21nCCCCCCCCCCCCCCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15BrO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.074 |
Area: | 472.835 |
Solvation: | -1.74684 |
Coulombic: | -23.6691 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.95 |
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 |
---|