Molecule

ID:69991

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Br
Molecular Mass
269.22054
Exact Mass
268.08266267
Charge
0
InChI
InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3
InChIKey
BUOWTUULDKULFI-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(cc(c1)C(C)(C)C)C(C)(C)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.832111
LogD (pH = 7.4)
5.832111
Log P
5.832111
Molar Refractivity
71.0126
Polarizability
27.561749
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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