Molecule

ID:2866

General Information
Structure
MolImage
Molecular Formula
C₆HBr₅O
Molecular Mass
488.59154
Exact Mass
483.59442465
Charge
0
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N
Canonic Smiles
Brc1c(O)c(Br)c(c(c1Br)Br)Br
Isomeric Smiles
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
Calculated Properties
JChem
Acid pKa
5.0135994
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.9159646
LogD (pH = 7.4)
3.6225395
Log P
5.5134435
Molar Refractivity
66.1529
Polarizability
26.684658
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.3
LOG S
-5.38
Solubility (Water)
2.06e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation