Molecule

ID:58476

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Br
Molecular Mass
243.18326
Exact Mass
242.06701261
Charge
0
InChI
InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
InChIKey
QUCXLVDIVQWYJR-UHFFFAOYSA-N
Canonic Smiles
CC12CC3CC(C1)(C)CC(C2)(C3)Br
Isomeric Smiles
C1C2(CC3(CC1(CC(C3)C2)C)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7130108
LogD (pH = 7.4)
3.7130108
Log P
3.7130108
Molar Refractivity
58.8628
Polarizability
23.27011
Polar Surface Area
0.0
Rotatable Bonds
0
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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