Molecule

ID:80376

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Br
Molecular Mass
187.07694
Exact Mass
186.00441235
Charge
0
InChI
InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKey
XCDJEPZLSGMJSM-UHFFFAOYSA-N
Canonic Smiles
BrCC1CC2CC1C=C2
Isomeric Smiles
BrCC1C2C=CC(C1)C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4396152
LogD (pH = 7.4)
2.4396152
Log P
2.4396152
Molar Refractivity
43.8514
Polarizability
16.434298
Polar Surface Area
0.0
Rotatable Bonds
1
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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