Molecule

ID:65085

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅BrO₂
Molecular Mass
211.0968
Exact Mass
210.02554172
Charge
0
InChI
InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3
InChIKey
AHIUAFXWZKCJLR-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(Br)C)OCC
Isomeric Smiles
C(C(OCC)OCC)(C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3836281
LogD (pH = 7.4)
2.3836281
Log P
2.3836281
Molar Refractivity
45.0364
Polarizability
17.809635
Polar Surface Area
18.46
Rotatable Bonds
5
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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