Molecule

ID:39657

General Information
Structure
Molecular Formula
C₁₀H₁₁BrO₂
Molecular Mass
243.09714
Exact Mass
241.99424159
Charge
0
InChI
InChI=1S/C10H11BrO2/c11-8-10(12-6-7-13-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
NTRATOUBIPAKPQ-UHFFFAOYSA-N
Canonic Smiles
BrCC1(OCCO1)c1ccccc1
Isomeric Smiles
C1(OCCO1)(c1ccccc1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0406923
LogD (pH = 7.4)
3.0406923
Log P
3.0406923
Molar Refractivity
53.8716
Polarizability
21.07158
Polar Surface Area
18.46
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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