Molecule

ID:77791

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrNO
Molecular Mass
216.0751
Exact Mass
214.99457595
Charge
0
InChI
InChI=1S/C8H10BrNO/c1-3-11-8-7(9)4-6(2)5-10-8/h4-5H,3H2,1-2H3
InChIKey
QZWWAXJNZMPWRD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncc(cc1Br)C
Isomeric Smiles
n1c(c(cc(c1)C)Br)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8312643
LogD (pH = 7.4)
2.8313406
Log P
2.8313415
Molar Refractivity
48.0904
Polarizability
18.401762
Polar Surface Area
22.12
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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