Molecule

ID:88863

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrO
Molecular Mass
215.08704
Exact Mass
213.99932697
Charge
0
InChI
InChI=1S/C9H11BrO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKey
MMORVPBHAHXAHH-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1Br)C
Isomeric Smiles
O(c1c(cccc1)Br)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3577101
LogD (pH = 7.4)
3.3577101
Log P
3.3577101
Molar Refractivity
49.3114
Polarizability
19.289701
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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