ChemDB: Chemical Search
Download
Chemical ID: 4116715
Chemical ID:
4116715
Name [?]:
(4-bromophenyl)-phenyl-methanol
SMILES [?]:
c1ccc(cc1)C(c2ccc(cc2)Br)O
InChi [?]:
InChI=1/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,13,10,12,4,8,11,7,14,15/E:(2,3)(4,5)(6,7)(8,9)/rA:15cCCCCCCCCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11BrO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.78617 |
Area: | 389.925 |
Solvation: | -1.96194 |
Coulombic: | -20.5189 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.13 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.15 |
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 |
---|