Molecule

ID:52925

General Information
Structure
Molecular Formula
C₁₀H₁₂Br₂
Molecular Mass
292.01028
Exact Mass
289.93057438
Charge
0
InChI
InChI=1S/C10H12Br2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChIKey
SSPNOMJZVHXOII-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(Br)cc(c1)Br)(C)C
Isomeric Smiles
c1c(cc(cc1C(C)(C)C)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.055807
LogD (pH = 7.4)
5.055807
Log P
5.055807
Molar Refractivity
59.9695
Polarizability
23.257172
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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