Molecule

ID:75969

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉Br
Molecular Mass
267.20466
Exact Mass
266.06701261
Charge
0
InChI
InChI=1S/C14H19Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKey
NLOOVMVNNNYLFS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
Brc1cc2c(cc1)C(C)(C)CCC2(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3683853
LogD (pH = 7.4)
5.3683853
Log P
5.3683853
Molar Refractivity
69.2104
Polarizability
26.841503
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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