Molecule

ID:81992

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅BrO₂
Molecular Mass
223.1075
Exact Mass
222.02554172
Charge
0
InChI
InChI=1S/C8H15BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2
InChIKey
HJNHUFQGDJLQRS-UHFFFAOYSA-N
Canonic Smiles
BrCCCOC1CCCCO1
Isomeric Smiles
O1C(OCCCBr)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9350615
LogD (pH = 7.4)
1.9350615
Log P
1.9350615
Molar Refractivity
48.2382
Polarizability
18.918285
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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