Molecule

ID:60129

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Br
Molecular Mass
243.18326
Exact Mass
242.06701261
Charge
0
InChI
InChI=1S/C12H19Br/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKey
OVKAIZXCUJMFLN-UHFFFAOYSA-N
Canonic Smiles
BrCCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7360609
LogD (pH = 7.4)
3.7360609
Log P
3.7360609
Molar Refractivity
59.2353
Polarizability
23.26652
Polar Surface Area
0.0
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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