Molecule

ID:73846

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrO
Molecular Mass
241.12432
Exact Mass
240.01497704
Charge
0
InChI
InChI=1S/C11H13BrO/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6H,2,7H2,1,3H3
InChIKey
UIIOPBQLGFLCGK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)CC(=C)Br
Isomeric Smiles
O(c1c(cc(cc1)CC(=C)Br)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6731303
LogD (pH = 7.4)
3.6731303
Log P
3.6731303
Molar Refractivity
59.5379
Polarizability
22.528646
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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